 Entering Gaussian System, Link 0=g16
 Input=12_L-valine_conformer17_STD_B3LYPDBJ_augccpVDZ.in
 Output=12_L-valine_conformer17_STD_B3LYPDBJ_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/Gau-65924.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     65925.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=12_L-valine_conformer17_STD_B3LYPDBJ_augccpVDZ
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 19:41:49 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "12_L-valine_conformer17_STD_B3LYPDBJ_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.242060000000     -0.691046000000      1.347213000000
  C                                                -1.257801000000     -0.369797000000     -0.148854000000
  C                                                 0.160880000000     -0.338750000000     -0.765763000000
  C                                                 1.057636000000      0.659612000000     -0.017001000000
  O                                                 1.945020000000      0.084751000000      0.805432000000
  C                                                -2.029648000000      0.917604000000     -0.430520000000
  N                                                 0.777212000000     -1.672850000000     -0.709690000000
  O                                                 0.958586000000      1.851003000000     -0.134549000000
  H                                                 0.071726000000      0.035438000000     -1.788895000000
  H                                                -1.773582000000     -1.187043000000     -0.668620000000
  H                                                 1.831378000000     -0.883345000000      0.671434000000
  H                                                 0.080206000000     -2.406377000000     -0.729845000000
  H                                                 1.409658000000     -1.824289000000     -1.485630000000
  H                                                -3.047160000000      0.833387000000     -0.044887000000
  H                                                -1.550296000000      1.774112000000      0.042015000000
  H                                                -2.088446000000      1.119506000000     -1.501518000000
  H                                                -2.261952000000     -0.810611000000      1.715282000000
  H                                                -0.697350000000     -1.610398000000      1.566250000000
  H                                                -0.777550000000      0.117788000000      1.914721000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          14          16           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  14.0030740  15.9949146   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           2           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   4.5500000   5.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   7.0000000   8.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 19:41:49 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.242060   -0.691046    1.347213
      2          6           0       -1.257801   -0.369797   -0.148854
      3          6           0        0.160880   -0.338750   -0.765763
      4          6           0        1.057636    0.659612   -0.017001
      5          8           0        1.945020    0.084751    0.805432
      6          6           0       -2.029648    0.917604   -0.430520
      7          7           0        0.777212   -1.672850   -0.709690
      8          8           0        0.958586    1.851003   -0.134549
      9          1           0        0.071726    0.035438   -1.788895
     10          1           0       -1.773582   -1.187043   -0.668620
     11          1           0        1.831378   -0.883345    0.671434
     12          1           0        0.080206   -2.406377   -0.729845
     13          1           0        1.409658   -1.824289   -1.485630
     14          1           0       -3.047160    0.833387   -0.044887
     15          1           0       -1.550296    1.774112    0.042015
     16          1           0       -2.088446    1.119506   -1.501518
     17          1           0       -2.261952   -0.810611    1.715282
     18          1           0       -0.697350   -1.610398    1.566250
     19          1           0       -0.777550    0.117788    1.914721
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.530250   0.000000
     3  C    2.560668   1.547319   0.000000
     4  C    2.995657   2.537384   1.536731   0.000000
     5  O    3.324585   3.372735   2.414780   1.339519   0.000000
     6  C    2.523566   1.527247   2.547396   3.125521   4.244904
     7  N    3.045037   2.480678   1.470657   2.449252   2.597794
     8  O    3.674299   3.137599   2.414495   1.201266   2.230754
     9  H    3.476922   2.149789   1.093053   2.121608   3.200343
    10  H    2.142921   1.097305   2.114517   3.442461   4.197415
    11  H    3.152725   3.237226   2.269952   1.858315   0.983910
    12  H    3.000820   2.505089   2.069512   3.296029   3.469917
    13  H    4.042381   3.319315   2.069899   2.906984   3.029853
    14  H    2.742303   2.158765   3.490715   4.108567   5.119117
    15  H    2.806342   2.172172   2.836338   2.836706   3.956511
    16  H    3.479905   2.176625   2.779805   3.509006   4.760418
    17  H    1.090848   2.162785   3.499765   4.022689   4.396375
    18  H    1.090823   2.189698   2.791403   3.277134   3.230247
    19  H    1.091809   2.174103   2.876469   2.719013   2.940068
                    6          7          8          9         10
     6  C    0.000000
     7  N    3.829732   0.000000
     8  O    3.144579   3.575084   0.000000
     9  H    2.653144   2.140243   2.611447   0.000000
    10  H    2.133495   2.596968   4.120643   2.480854   0.000000
    11  H    4.400596   1.908425   2.981281   3.161290   3.857942
    12  H    3.948408   1.012070   4.387620   2.661601   2.219697
    13  H    4.523280   1.012425   3.941657   2.310977   3.347627
    14  H    1.091392   4.620499   4.133955   3.661384   2.468437
    15  H    1.089346   4.226571   2.516262   3.001029   3.053408
    16  H    1.091448   4.078755   3.418786   2.433954   2.472454
    17  H    2.764988   3.982520   4.569237   4.294311   2.462356
    18  H    3.486101   2.712588   4.197158   3.815397   2.516376
    19  H    2.776258   3.537118   3.196515   3.800635   3.060770
                   11         12         13         14         15
    11  H    0.000000
    12  H    2.711054   0.000000
    13  H    2.390847   1.636301   0.000000
    14  H    5.221151   4.554740   5.385370   0.000000
    15  H    4.346719   4.553108   4.903419   1.770061   0.000000
    16  H    4.908987   4.210746   4.571970   1.767136   1.760854
    17  H    4.224957   3.743103   4.975349   2.533274   3.160233
    18  H    2.779167   2.551515   3.714728   3.753592   3.808637
    19  H    3.058518   3.755114   4.485301   3.082738   2.616787
                   16         17         18         19
    16  H    0.000000
    17  H    3.755430   0.000000
    18  H    4.335750   1.763476   0.000000
    19  H    3.793755   1.762144   1.764792   0.000000
 Stoichiometry    C5H11NO2
 Framework group  C1[X(C5H11NO2)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.84D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.242060   -0.691046    1.347213
      2          6           0       -1.257801   -0.369797   -0.148854
      3          6           0        0.160880   -0.338750   -0.765763
      4          6           0        1.057636    0.659612   -0.017001
      5          8           0        1.945020    0.084751    0.805432
      6          6           0       -2.029648    0.917604   -0.430520
      7          7           0        0.777212   -1.672850   -0.709690
      8          8           0        0.958586    1.851003   -0.134549
      9          1           0        0.071726    0.035438   -1.788895
     10          1           0       -1.773582   -1.187043   -0.668620
     11          1           0        1.831378   -0.883345    0.671434
     12          1           0        0.080206   -2.406377   -0.729845
     13          1           0        1.409658   -1.824289   -1.485630
     14          1           0       -3.047160    0.833387   -0.044887
     15          1           0       -1.550296    1.774112    0.042015
     16          1           0       -2.088446    1.119506   -1.501518
     17          1           0       -2.261952   -0.810611    1.715282
     18          1           0       -0.697350   -1.610398    1.566250
     19          1           0       -0.777550    0.117788    1.914721
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.4712723           1.7885275           1.4334947
 Leave Link  202 at Thu Aug 12 19:41:49 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     16     17     18
 Centers:      19
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      8
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  24 primitive shells out of 312 were deleted.
 There are   299 symmetry adapted cartesian basis functions of A   symmetry.
 There are   283 symmetry adapted basis functions of A   symmetry.
   283 basis functions,   508 primitive gaussians,   299 cartesian basis functions
    32 alpha electrons       32 beta electrons
       nuclear repulsion energy       413.2608280726 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0294629772 Hartrees.
 Nuclear repulsion after empirical dispersion term =      413.2313650954 Hartrees.
 Leave Link  301 at Thu Aug 12 19:41:51 2021, MaxMem=  5368709120 cpu:              10.2 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   283 RedAO= T EigKep=  9.80D-06  NBF=   283
 NBsUse=   283 1.00D-06 EigRej= -1.00D+00 NBFU=   283
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   299   299   299   299   299 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Thu Aug 12 19:41:51 2021, MaxMem=  5368709120 cpu:               2.5 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 19:41:51 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "12_L-valine_conformer17_STD_B3LYPDBJ_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 19:41:52 2021, MaxMem=  5368709120 cpu:               2.1 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368524961 LenY=  5368435119
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -402.457798486985    
 DIIS: error= 1.75D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -402.457798486985     IErMin= 1 ErrMin= 1.75D-03
 ErrMax= 1.75D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.89D-03 BMatP= 4.89D-03
 IDIUse=3 WtCom= 9.83D-01 WtEn= 1.75D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.264 Goal=   None    Shift=    0.000
 GapD=    0.264 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.42D-02 MaxDP=1.22D+00              OVMax= 1.67D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.35D-02    CP:  1.18D+00
 E= -402.462215274130     Delta-E=       -0.004416787145 Rises=F Damp=F
 DIIS: error= 3.62D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -402.462215274130     IErMin= 2 ErrMin= 3.62D-04
 ErrMax= 3.62D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.18D-04 BMatP= 4.89D-03
 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.62D-03
 Coeff-Com:  0.140D-01 0.986D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.140D-01 0.986D+00
 Gap=     0.240 Goal=   None    Shift=    0.000
 RMSDP=4.39D-04 MaxDP=3.13D-02 DE=-4.42D-03 OVMax= 5.60D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.62D-04    CP:  1.18D+00  1.03D+00
 E= -402.462070572419     Delta-E=        0.000144701711 Rises=F Damp=F
 DIIS: error= 6.13D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -402.462215274130     IErMin= 2 ErrMin= 3.62D-04
 ErrMax= 6.13D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.23D-04 BMatP= 1.18D-04
 IDIUse=3 WtCom= 2.88D-01 WtEn= 7.12D-01
 Coeff-Com: -0.126D-01 0.633D+00 0.379D+00
 Coeff-En:   0.000D+00 0.694D+00 0.306D+00
 Coeff:     -0.362D-02 0.676D+00 0.327D+00
 Gap=     0.238 Goal=   None    Shift=    0.000
 RMSDP=8.89D-05 MaxDP=5.78D-03 DE= 1.45D-04 OVMax= 3.32D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.15D-05    CP:  1.18D+00  1.03D+00  8.14D-01
 E= -402.462305015307     Delta-E=       -0.000234442887 Rises=F Damp=F
 DIIS: error= 7.52D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -402.462305015307     IErMin= 4 ErrMin= 7.52D-05
 ErrMax= 7.52D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.74D-06 BMatP= 1.18D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.669D-02 0.290D+00 0.124D+00 0.593D+00
 Coeff:     -0.669D-02 0.290D+00 0.124D+00 0.593D+00
 Gap=     0.238 Goal=   None    Shift=    0.000
 RMSDP=2.05D-05 MaxDP=1.23D-03 DE=-2.34D-04 OVMax= 7.03D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.62D-05    CP:  1.18D+00  1.03D+00  8.14D-01  1.10D+00
 E= -402.462307955148     Delta-E=       -0.000002939841 Rises=F Damp=F
 DIIS: error= 3.69D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -402.462307955148     IErMin= 5 ErrMin= 3.69D-05
 ErrMax= 3.69D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.14D-06 BMatP= 4.74D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.151D-02 0.376D-01-0.691D-02 0.398D+00 0.573D+00
 Coeff:     -0.151D-02 0.376D-01-0.691D-02 0.398D+00 0.573D+00
 Gap=     0.238 Goal=   None    Shift=    0.000
 RMSDP=8.84D-06 MaxDP=4.48D-04 DE=-2.94D-06 OVMax= 4.01D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  5.59D-06    CP:  1.18D+00  1.03D+00  8.27D-01  1.13D+00  8.37D-01
 E= -402.462308748910     Delta-E=       -0.000000793762 Rises=F Damp=F
 DIIS: error= 7.51D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -402.462308748910     IErMin= 6 ErrMin= 7.51D-06
 ErrMax= 7.51D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.43D-08 BMatP= 1.14D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.394D-03 0.113D-03-0.128D-01 0.188D+00 0.332D+00 0.493D+00
 Coeff:     -0.394D-03 0.113D-03-0.128D-01 0.188D+00 0.332D+00 0.493D+00
 Gap=     0.238 Goal=   None    Shift=    0.000
 RMSDP=2.49D-06 MaxDP=7.47D-05 DE=-7.94D-07 OVMax= 7.27D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.21D-06    CP:  1.18D+00  1.03D+00  8.29D-01  1.14D+00  8.02D-01
                    CP:  8.86D-01
 E= -402.462308824120     Delta-E=       -0.000000075211 Rises=F Damp=F
 DIIS: error= 1.13D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -402.462308824120     IErMin= 7 ErrMin= 1.13D-06
 ErrMax= 1.13D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.26D-09 BMatP= 8.43D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.157D-04-0.297D-02-0.386D-02 0.365D-01 0.709D-01 0.158D+00
 Coeff-Com:  0.742D+00
 Coeff:     -0.157D-04-0.297D-02-0.386D-02 0.365D-01 0.709D-01 0.158D+00
 Coeff:      0.742D+00
 Gap=     0.238 Goal=   None    Shift=    0.000
 RMSDP=5.87D-07 MaxDP=4.33D-05 DE=-7.52D-08 OVMax= 1.11D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.42D-07    CP:  1.18D+00  1.03D+00  8.30D-01  1.14D+00  8.12D-01
                    CP:  9.12D-01  9.24D-01
 E= -402.462308825146     Delta-E=       -0.000000001026 Rises=F Damp=F
 DIIS: error= 5.16D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -402.462308825146     IErMin= 8 ErrMin= 5.16D-07
 ErrMax= 5.16D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.77D-10 BMatP= 1.26D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.902D-05-0.126D-02-0.109D-02 0.742D-02 0.147D-01 0.441D-01
 Coeff-Com:  0.339D+00 0.597D+00
 Coeff:      0.902D-05-0.126D-02-0.109D-02 0.742D-02 0.147D-01 0.441D-01
 Coeff:      0.339D+00 0.597D+00
 Gap=     0.238 Goal=   None    Shift=    0.000
 RMSDP=1.97D-07 MaxDP=1.92D-05 DE=-1.03D-09 OVMax= 3.03D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.38D-07    CP:  1.18D+00  1.03D+00  8.30D-01  1.14D+00  8.12D-01
                    CP:  9.15D-01  9.35D-01  8.15D-01
 E= -402.462308825298     Delta-E=       -0.000000000152 Rises=F Damp=F
 DIIS: error= 1.33D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -402.462308825298     IErMin= 9 ErrMin= 1.33D-07
 ErrMax= 1.33D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.92D-11 BMatP= 1.77D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.667D-05-0.225D-03-0.675D-04-0.682D-03-0.161D-02 0.124D-02
 Coeff-Com:  0.688D-01 0.283D+00 0.650D+00
 Coeff:      0.667D-05-0.225D-03-0.675D-04-0.682D-03-0.161D-02 0.124D-02
 Coeff:      0.688D-01 0.283D+00 0.650D+00
 Gap=     0.238 Goal=   None    Shift=    0.000
 RMSDP=4.82D-08 MaxDP=3.30D-06 DE=-1.52D-10 OVMax= 1.39D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.49D-08    CP:  1.18D+00  1.03D+00  8.30D-01  1.14D+00  8.12D-01
                    CP:  9.17D-01  9.42D-01  8.44D-01  8.68D-01
 E= -402.462308825300     Delta-E=       -0.000000000002 Rises=F Damp=F
 DIIS: error= 3.69D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -402.462308825300     IErMin=10 ErrMin= 3.69D-08
 ErrMax= 3.69D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.32D-12 BMatP= 1.92D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.275D-05-0.548D-04 0.210D-04-0.747D-03-0.162D-02-0.155D-02
 Coeff-Com:  0.190D-01 0.117D+00 0.332D+00 0.536D+00
 Coeff:      0.275D-05-0.548D-04 0.210D-04-0.747D-03-0.162D-02-0.155D-02
 Coeff:      0.190D-01 0.117D+00 0.332D+00 0.536D+00
 Gap=     0.238 Goal=   None    Shift=    0.000
 RMSDP=1.33D-08 MaxDP=1.36D-06 DE=-2.27D-12 OVMax= 2.44D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.03D-08    CP:  1.18D+00  1.03D+00  8.30D-01  1.14D+00  8.12D-01
                    CP:  9.17D-01  9.43D-01  8.60D-01  8.51D-01  9.61D-01
 E= -402.462308825318     Delta-E=       -0.000000000017 Rises=F Damp=F
 DIIS: error= 7.16D-09 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -402.462308825318     IErMin=11 ErrMin= 7.16D-09
 ErrMax= 7.16D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.87D-14 BMatP= 1.32D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.243D-06 0.507D-05 0.129D-04-0.159D-03-0.316D-03-0.533D-03
 Coeff-Com: -0.118D-02 0.588D-02 0.378D-01 0.181D+00 0.777D+00
 Coeff:      0.243D-06 0.507D-05 0.129D-04-0.159D-03-0.316D-03-0.533D-03
 Coeff:     -0.118D-02 0.588D-02 0.378D-01 0.181D+00 0.777D+00
 Gap=     0.238 Goal=   None    Shift=    0.000
 RMSDP=4.35D-09 MaxDP=5.36D-07 DE=-1.74D-11 OVMax= 7.83D-08

 SCF Done:  E(RB3LYP) =  -402.462308825     A.U. after   11 cycles
            NFock= 11  Conv=0.43D-08     -V/T= 2.0061
 KE= 4.000151489425D+02 PE=-1.765713041403D+03 EE= 5.500042185401D+02
 Leave Link  502 at Thu Aug 12 19:42:53 2021, MaxMem=  5368709120 cpu:             486.8 elap:              61.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   283
 NBasis=   283 NAE=    32 NBE=    32 NFC=     0 NFV=     0
 NROrb=    283 NOA=    32 NOB=    32 NVA=   251 NVB=   251

 **** Warning!!: The largest alpha MO coefficient is  0.60985999D+02

 Leave Link  801 at Thu Aug 12 19:42:53 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5894 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.34D-13 8.33D-09 XBig12= 1.00D+00 2.31D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.34D-13 8.33D-09 XBig12= 2.87D-01 6.87D-02.
     11 vectors produced by pass  2 Test12= 1.34D-13 8.33D-09 XBig12= 3.93D-02 3.19D-02.
     11 vectors produced by pass  3 Test12= 1.34D-13 8.33D-09 XBig12= 1.99D-03 7.89D-03.
     11 vectors produced by pass  4 Test12= 1.34D-13 8.33D-09 XBig12= 6.46D-05 1.36D-03.
     11 vectors produced by pass  5 Test12= 1.34D-13 8.33D-09 XBig12= 1.82D-06 2.04D-04.
     11 vectors produced by pass  6 Test12= 1.34D-13 8.33D-09 XBig12= 3.29D-08 2.15D-05.
     11 vectors produced by pass  7 Test12= 1.34D-13 8.33D-09 XBig12= 3.44D-10 3.05D-06.
      9 vectors produced by pass  8 Test12= 1.34D-13 8.33D-09 XBig12= 3.96D-12 2.27D-07.
      3 vectors produced by pass  9 Test12= 1.34D-13 8.33D-09 XBig12= 2.52D-14 1.66D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.84D-14
 Solved reduced A of dimension   100 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.826719D+02
      2 -0.276693D+01  0.849290D+02
      3  0.215331D+01 -0.118497D+01  0.746422D+02
 Isotropic polarizability for W=    0.088559       80.75 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.779722D+02  0.144206D+02  0.232865D+02
      2   0.435081D+02 -0.116341D+02 -0.163556D+02
      3   0.344641D+02 -0.278645D+01 -0.693087D+01
      4  -0.124383D+02 -0.257874D+02  0.132398D+02
      5   0.160377D+02  0.107019D+02 -0.538210D+02
      6   0.120837D+02 -0.144475D+02 -0.236688D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.198830D+01  0.189084D+01  0.862066D+01
      2   0.122209D+02  0.274012D+01 -0.277213D+02
      3  -0.111595D+02  0.125463D+02 -0.578566D+00
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.253791D+01  0.190815D+01  0.208823D+02
      2   0.724883D+01  0.115603D+01 -0.882851D+02
      3  -0.268589D+02  0.692955D+02  0.138187D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.446300D+00 -0.238331D+01 -0.112356D+00
      2  -0.238331D+01 -0.994423D+00  0.142006D+01
      3  -0.112356D+00  0.142006D+01  0.721381D+00
 OR G Eigenvalues:    -3.0806     0.5445     2.7094  Iso=    -0.0578
 Eigenvectors:
   (1)   0.530861   0.798913  -0.282710
   (2)   0.540041  -0.061822   0.839365
   (3)   0.653102  -0.598261  -0.464264
 w=    0.088559 a.u., Optical Rotation Beta=     -0.0578 au.
 Molar Mass =    117.1474 grams/mole, [Alpha] ( 5145.0 A) =      -25.00 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   40186 ScalPx= 7.23D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40186 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.25D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.23D-14 2.78D-09 XBig12= 1.00D+00 5.00D-01.
     30 vectors produced by pass  1 Test12= 2.23D-14 2.78D-09 XBig12= 1.93D-02 2.64D-02.
     30 vectors produced by pass  2 Test12= 2.23D-14 2.78D-09 XBig12= 5.33D-04 3.80D-03.
     30 vectors produced by pass  3 Test12= 2.23D-14 2.78D-09 XBig12= 5.47D-06 2.82D-04.
     30 vectors produced by pass  4 Test12= 2.23D-14 2.78D-09 XBig12= 3.88D-08 2.20D-05.
     30 vectors produced by pass  5 Test12= 2.23D-14 2.78D-09 XBig12= 1.05D-10 1.06D-06.
     29 vectors produced by pass  6 Test12= 2.23D-14 2.78D-09 XBig12= 2.42D-13 4.29D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.22D-15
 Solved reduced A of dimension   209 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40186 ScalPx= 3.56D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40186 ScalPx= 3.56D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40186 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.24D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.826719D+02 -0.276693D+01  0.215331D+01
      2  -0.276693D+01  0.849290D+02 -0.118497D+01
      3   0.215331D+01 -0.118497D+01  0.746422D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.198830D+01  0.189084D+01  0.862066D+01
      2   0.122209D+02  0.274012D+01 -0.277213D+02
      3  -0.111595D+02  0.125463D+02 -0.578566D+00
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.779722D+02  0.144206D+02  0.232865D+02
      2   0.435081D+02 -0.116341D+02 -0.163556D+02
      3   0.344641D+02 -0.278645D+01 -0.693087D+01
      4  -0.124383D+02 -0.257874D+02  0.132398D+02
      5   0.160377D+02  0.107019D+02 -0.538210D+02
      6   0.120837D+02 -0.144475D+02 -0.236688D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.546724D+01  0.166808D+01 -0.447579D+01  0.119814D+01 -0.373437D+01
      2   0.166808D+01 -0.374266D+01 -0.674313D+00 -0.373437D+01  0.175294D+01
      3  -0.447579D+01 -0.674313D+00  0.187476D+00 -0.409480D+00 -0.315961D+01
                 6             7             8             9            10 
      1  -0.409480D+00 -0.312529D+01 -0.546904D+00 -0.224934D+00 -0.487659D+01
      2  -0.315961D+01 -0.546904D+00 -0.201928D+01 -0.252897D+01 -0.231706D+00
      3  -0.193480D+01 -0.224934D+00 -0.252897D+01  0.300639D+01  0.344077D+01
                11            12            13            14            15 
      1  -0.231706D+00  0.344077D+01  0.856588D+00  0.502813D+01  0.860865D+00
      2   0.419704D+01  0.919684D+00  0.502813D+01  0.155948D+01  0.336344D+01
      3   0.919684D+00  0.292734D+00  0.860865D+00  0.336344D+01  0.307869D+01
                16            17            18            19            20 
      1   0.492581D+01  0.100912D+01  0.431893D+00  0.437289D+01 -0.179756D+00
      2   0.100912D+01  0.323682D+01  0.407316D+01 -0.179756D+00 -0.246016D+01
      3   0.431893D+00  0.407316D+01 -0.431320D+01 -0.204901D+01 -0.148028D+01
                21            22            23            24            25 
      1  -0.204901D+01  0.350843D+00 -0.330419D+01 -0.113606D+01 -0.253530D+01
      2  -0.148028D+01 -0.330419D+01  0.357190D+00  0.225090D+00 -0.172406D+01
      3   0.502173D+00 -0.113606D+01  0.225090D+00 -0.257691D+01  0.983149D+00
                26            27            28            29            30 
      1  -0.172406D+01  0.983149D+00  0.554060D+00  0.128974D+01  0.217157D-01
      2  -0.996582D+00 -0.369686D+01  0.128974D+01  0.336914D+01  0.149565D+01
      3  -0.369686D+01  0.443318D+01  0.217157D-01  0.149565D+01  0.681879D+00
                31            32            33            34            35 
      1  -0.709268D+00  0.135821D+00  0.115482D+01 -0.939447D+00  0.165434D+01
      2   0.135821D+00 -0.627275D+01  0.113686D+01  0.165434D+01  0.319477D+01
      3   0.115482D+01  0.113686D+01  0.114373D+01 -0.300887D+00  0.179745D+01
                36            37            38            39            40 
      1  -0.300887D+00  0.543286D+01 -0.988844D+00  0.209594D+01  0.506767D+00
      2   0.179745D+01 -0.988844D+00 -0.190440D+00 -0.134673D+00  0.204683D+01
      3  -0.105612D+00  0.209594D+01 -0.134673D+00  0.116041D+01  0.115388D+01
                41            42            43            44            45 
      1   0.204683D+01  0.115388D+01  0.273450D+01 -0.153035D+00  0.232710D+01
      2   0.486786D+01  0.214423D+01 -0.153035D+00  0.443752D-02 -0.687775D+00
      3   0.214423D+01  0.106778D+01  0.232710D+01 -0.687775D+00  0.337788D+01
                46            47            48            49            50 
      1   0.622767D+01  0.302459D+00 -0.308532D+01  0.128240D+01 -0.355194D+01
      2   0.302459D+00 -0.361305D+01 -0.329900D+00 -0.355194D+01 -0.680618D+00
      3  -0.308532D+01 -0.329900D+00  0.221874D+00 -0.612201D+00 -0.204878D+01
                51            52            53            54            55 
      1  -0.612201D+00 -0.391439D+01 -0.312570D+00  0.120889D+01  0.713474D+00
      2  -0.204878D+01 -0.312570D+00 -0.176933D+01 -0.320323D+01  0.999498D+00
      3  -0.210996D+01  0.120889D+01 -0.320323D+01  0.666475D+01  0.206249D+01
                56            57            58            59            60 
      1   0.999498D+00  0.206249D+01  0.459248D+00  0.395737D+01  0.672277D-01
      2   0.415603D+01  0.317693D+00  0.395737D+01  0.976488D+00  0.130478D+01
      3   0.317693D+00 -0.214522D+01  0.672277D-01  0.130478D+01  0.763657D+00
                61            62            63            64            65 
      1   0.305714D+01 -0.102736D+01 -0.276848D+01 -0.130121D+01  0.280562D+01
      2  -0.102736D+01  0.202539D+01  0.111323D+01  0.280562D+01  0.366353D-01
      3  -0.276848D+01  0.111323D+01  0.169336D+01 -0.465429D+00 -0.558303D+00
                66            67            68            69            70 
      1  -0.465429D+00  0.400952D+01  0.130938D+01 -0.158983D+00 -0.273263D+00
      2  -0.558303D+00  0.130938D+01  0.133682D+02 -0.134297D+01 -0.586336D+00
      3  -0.407274D+00 -0.158983D+00 -0.134297D+01  0.180925D+01  0.261456D+00
                71            72            73            74            75 
      1  -0.586336D+00  0.261456D+00 -0.123840D+01  0.478866D+00 -0.848082D+00
      2  -0.105786D+01  0.257520D+01  0.478866D+00 -0.792985D-01  0.188107D+00
      3   0.257520D+01 -0.795677D+00 -0.848082D+00  0.188107D+00 -0.453555D+00
                76            77            78            79            80 
      1   0.693428D+00  0.109595D+00  0.151928D+00 -0.133287D+01  0.616290D+00
      2   0.109595D+00  0.124191D+01 -0.169772D+01  0.616290D+00 -0.205974D+01
      3   0.151928D+00 -0.169772D+01  0.208969D+01 -0.165746D+00  0.204711D+01
                81            82            83            84            85 
      1  -0.165746D+00 -0.234312D+01 -0.166397D+01 -0.169702D+01 -0.261470D+01
      2   0.204711D+01 -0.166397D+01 -0.239890D+01 -0.832388D+00 -0.272471D+01
      3  -0.798232D+01 -0.169702D+01 -0.832388D+00 -0.134078D+01 -0.886484D+00
                86            87            88            89            90 
      1  -0.272471D+01 -0.886484D+00 -0.243768D+01 -0.901735D+00 -0.131000D+01
      2  -0.528430D+01 -0.224957D+01 -0.901735D+00 -0.256847D+01 -0.224729D+01
      3  -0.224957D+01 -0.227871D+01 -0.131000D+01 -0.224729D+01 -0.192482D+01
                91            92            93            94            95 
      1   0.140003D+01 -0.970126D+00  0.137240D+00 -0.259170D+01 -0.178077D+00
      2  -0.970126D+00 -0.283760D-01 -0.647673D+00 -0.178077D+00 -0.567264D+01
      3   0.137240D+00 -0.647673D+00  0.209439D+00 -0.185122D+01 -0.701683D+00
                96            97            98            99           100 
      1  -0.185122D+01  0.163067D+00 -0.736368D+00  0.135730D+00 -0.239096D+01
      2  -0.701683D+00 -0.736368D+00 -0.229378D+00 -0.105603D+01 -0.208154D+01
      3  -0.248029D+01  0.135730D+00 -0.105603D+01  0.960335D+00 -0.365818D-01
               101           102           103           104           105 
      1  -0.208154D+01 -0.365818D-01 -0.233925D+01 -0.231371D+01 -0.375140D+00
      2  -0.486591D+01 -0.899389D+00 -0.231371D+01 -0.763576D+01 -0.156088D+01
      3  -0.899389D+00 -0.725055D+00 -0.375140D+00 -0.156088D+01 -0.142163D+01
               106           107           108           109           110 
      1   0.310891D+00  0.895054D-01  0.155749D+00  0.380761D+01 -0.187163D+01
      2   0.895054D-01 -0.341284D+00 -0.652408D+00 -0.187163D+01  0.198088D+01
      3   0.155749D+00 -0.652408D+00 -0.202218D+00 -0.254555D+01  0.148720D+01
               111           112           113           114           115 
      1  -0.254555D+01 -0.733364D+00  0.108927D+01  0.629057D+00 -0.334452D+01
      2   0.148720D+01  0.108927D+01 -0.163158D+01 -0.122230D+01  0.165098D+01
      3   0.343930D+01  0.629057D+00 -0.122230D+01 -0.106081D+01  0.319229D+01
               116           117           118           119           120 
      1   0.165098D+01  0.319229D+01 -0.104210D+02  0.149607D+01  0.167886D+01
      2  -0.218853D+01 -0.230153D+01  0.149607D+01 -0.113845D+01 -0.866445D-02
      3  -0.230153D+01 -0.390257D+01  0.167886D+01 -0.866445D-02 -0.151964D+01
               121           122           123           124           125 
      1  -0.692512D+00 -0.711247D+00  0.774945D-01  0.307040D+01 -0.537539D+00
      2  -0.711247D+00  0.200929D+00  0.480672D+00 -0.537539D+00  0.809215D+00
      3   0.774945D-01  0.480672D+00 -0.810033D-01 -0.164930D+01  0.413432D+00
               126           127           128           129           130 
      1  -0.164930D+01  0.137786D+01  0.703626D+00  0.779688D+00  0.164709D+01
      2   0.413432D+00  0.703626D+00  0.197391D+01  0.433142D+00  0.639576D+00
      3   0.462189D+00  0.779688D+00  0.433142D+00  0.782276D+00  0.419698D+00
               131           132           133           134           135 
      1   0.639576D+00  0.419698D+00  0.128472D+01  0.974179D-01  0.175471D+00
      2   0.535430D+01  0.131141D+01  0.974179D-01  0.233293D+01  0.158425D+01
      3   0.131141D+01  0.164445D+01  0.175471D+00  0.158425D+01  0.694600D+00
               136           137           138           139           140 
      1  -0.114255D+01  0.371288D+00 -0.899815D+00  0.136210D+00 -0.136570D+00
      2   0.371288D+00  0.188120D+00  0.155792D+00 -0.136570D+00  0.127054D+01
      3  -0.899815D+00  0.155792D+00 -0.574418D+00  0.365717D+00 -0.125068D+01
               141           142           143           144           145 
      1   0.365717D+00 -0.176394D+01  0.902373D+00 -0.170840D+01 -0.789890D+01
      2  -0.125068D+01  0.902373D+00 -0.202526D+01  0.261706D+01 -0.125243D+01
      3   0.143291D+01 -0.170840D+01  0.261706D+01 -0.851446D+01  0.383798D+01
               146           147           148           149           150 
      1  -0.125243D+01  0.383798D+01 -0.943003D+00 -0.797374D+00  0.447485D+00
      2  -0.104873D+01  0.830241D+00 -0.797374D+00 -0.809951D+00  0.940789D+00
      3   0.830241D+00 -0.329461D+01  0.447485D+00  0.940789D+00 -0.155469D+00
               151           152           153           154           155 
      1   0.234430D+01  0.419044D+00 -0.214250D+01  0.123112D+01 -0.163162D+01
      2   0.419044D+00  0.601836D+00 -0.250111D+00 -0.163162D+01  0.229513D+01
      3  -0.214250D+01 -0.250111D+00  0.204495D+01  0.909441D+00 -0.814855D+00
               156           157           158           159           160 
      1   0.909441D+00 -0.189888D+01  0.194164D+01 -0.332419D+00  0.645668D+00
      2  -0.814855D+00  0.194164D+01 -0.570820D+01  0.236593D+01 -0.391143D+00
      3   0.140823D+01 -0.332419D+00  0.236593D+01 -0.220556D+01  0.696795D+00
               161           162           163           164           165 
      1  -0.391143D+00  0.696795D+00  0.102786D+01  0.756371D+00  0.113849D+01
      2   0.139756D+01 -0.115689D+01  0.756371D+00  0.136911D+01  0.552932D+00
      3  -0.115689D+01  0.110992D+01  0.113849D+01  0.552932D+00  0.157476D+01
               166           167           168           169           170 
      1   0.138245D+01  0.119456D+01  0.433812D+00  0.113022D+01  0.477975D+00
      2   0.119456D+01  0.274599D+01  0.196098D+01  0.477975D+00  0.165277D+01
      3   0.433812D+00  0.196098D+01  0.327498D+01  0.701725D+00  0.156018D+01
               171 
      1   0.701725D+00
      2   0.156018D+01
      3   0.329332D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.575211D+00 -0.786516D+01 -0.100429D+01 -0.692818D+01  0.230907D+01
      2  -0.240465D+01 -0.300620D+01  0.115983D+02 -0.221807D+01  0.115234D+02
      3  -0.203134D+01 -0.894886D+01  0.252701D+01 -0.474574D+01  0.516314D+01
                 6             7             8             9            10 
      1  -0.109167D+02 -0.107782D+01 -0.441262D+01 -0.347802D+00  0.199942D+01
      2   0.375362D+01  0.459581D+01  0.445442D+01 -0.463385D+01 -0.865647D+01
      3  -0.419831D+01  0.155593D+01 -0.237351D+01 -0.352164D+01  0.195834D+01
                11            12            13            14            15 
      1  -0.817351D-01 -0.446173D-01 -0.106556D+00  0.324021D+00 -0.323686D+01
      2  -0.244224D+01  0.372165D+01  0.189641D+01 -0.252472D+01 -0.339464D+01
      3   0.429398D+01  0.207846D+01  0.976054D+01 -0.167202D+01  0.382803D+01
                16            17            18            19            20 
      1  -0.146466D+01  0.198015D+01 -0.191558D+01 -0.235073D+01  0.158993D+01
      2  -0.101815D+01 -0.275163D+01  0.603882D+01  0.155332D+01  0.650560D+00
      3  -0.166337D+01  0.268989D+01  0.458184D+01 -0.737981D+00 -0.355518D+01
                21            22            23            24            25 
      1  -0.134464D+01  0.493101D+01 -0.868460D+00  0.141171D+01  0.320125D+01
      2  -0.159392D+01 -0.476130D+00 -0.258248D+01  0.269573D+01 -0.763540D+01
      3   0.958886D-01  0.327249D+01  0.125772D-01 -0.315635D+01  0.142143D+01
                26            27            28            29            30 
      1   0.407801D+01  0.308032D+01 -0.119489D+01 -0.485304D+01  0.645917D+00
      2  -0.195580D+01  0.308775D+01  0.126467D+02  0.469897D+01  0.278701D+01
      3  -0.338134D+00  0.379459D+00 -0.377530D+01 -0.840270D+01 -0.318073D+01
                31            32            33            34            35 
      1  -0.369867D+01  0.641813D+00  0.680311D+01  0.304923D+01  0.674753D+01
      2  -0.767793D+00  0.136873D+01 -0.300900D+00 -0.995138D+01 -0.226943D+01
      3  -0.600171D+01  0.922355D+01  0.239423D+01 -0.915382D+00  0.339380D+01
                36            37            38            39            40 
      1  -0.132163D+01 -0.103868D+01  0.387468D+01  0.619014D+00  0.286652D+01
      2  -0.956253D+01 -0.177037D+01 -0.155970D+01  0.519152D+01  0.275850D+00
      3  -0.729666D+00  0.257177D+01 -0.652712D+01  0.102555D+01 -0.180855D+01
                41            42            43            44            45 
      1   0.979693D+01  0.329009D+00 -0.126215D+01  0.499658D+01 -0.649555D+00
      2   0.371210D+01  0.324230D+01  0.257243D+01  0.969066D+00  0.920833D+01
      3  -0.156781D+02 -0.647113D+01 -0.164450D+01 -0.522360D+01  0.989780D+00
                46            47            48            49            50 
      1   0.328492D+01  0.287819D+01 -0.404650D+00  0.267254D+01  0.223550D+01
      2   0.108465D+02  0.110362D+01 -0.691884D+00  0.160491D+01  0.276167D+01
      3   0.888677D+01 -0.128107D+02 -0.481402D+01 -0.558132D+01 -0.660998D+01
                51            52            53            54            55 
      1   0.210583D+01 -0.270339D+01  0.763389D+01 -0.799183D+01  0.445223D+01
      2   0.485286D+01 -0.754104D+01  0.755283D+01 -0.146032D+02  0.321545D+01
      3  -0.571190D+01 -0.531827D+01 -0.509282D+01 -0.604386D+01 -0.386348D+01
                56            57            58            59            60 
      1  -0.409548D+01 -0.390285D+01 -0.384461D+01  0.429473D+01 -0.370760D+01
      2  -0.941760D+00  0.190235D+01 -0.946652D+00  0.495389D+01 -0.126173D+01
      3  -0.135716D+02 -0.519568D+01 -0.265077D+01 -0.918882D+01 -0.172274D+01
                61            62            63            64            65 
      1  -0.672204D+01  0.636096D+01  0.346310D+01  0.130834D+01  0.107891D+01
      2  -0.558045D+01  0.162897D+01  0.152732D+01 -0.373202D+01 -0.186246D+01
      3  -0.360930D+01 -0.527054D+00  0.497867D+01 -0.491184D+01  0.319484D-01
                66            67            68            69            70 
      1  -0.809443D+00 -0.115702D+01 -0.150408D+01 -0.128695D+02 -0.102072D+01
      2   0.135135D+01  0.358352D+01 -0.153508D+00  0.216467D+01 -0.119372D+01
      3   0.116001D+01  0.138139D+02 -0.156237D+02  0.154888D+01  0.127175D+01
                71            72            73            74            75 
      1   0.174279D+00  0.445451D+00 -0.561219D+00  0.616481D+00 -0.138976D+00
      2   0.496257D+01  0.135169D+01 -0.134898D+01  0.707711D+00  0.215268D+00
      3  -0.569368D+00 -0.438239D+01  0.243215D+00 -0.518230D+00  0.531976D+00
                76            77            78            79            80 
      1  -0.307941D+00 -0.215715D+01  0.126504D+00 -0.117582D+01  0.503034D+01
      2   0.158883D+01 -0.693962D+00 -0.246509D+00 -0.385588D+01  0.105444D+01
      3   0.192384D+01 -0.245082D-01  0.106111D+01 -0.449836D+00  0.122082D+00
                81            82            83            84            85 
      1  -0.132317D+01 -0.475422D+00  0.701469D+00 -0.135001D+01  0.519530D+00
      2   0.911063D-01  0.824468D+00  0.593899D+00  0.262536D+01 -0.195468D+01
      3  -0.648293D+00 -0.280599D+00 -0.471785D+01 -0.365217D+00  0.153538D+01
                86            87            88            89            90 
      1   0.120357D+01 -0.264240D+01 -0.282124D+00  0.173530D+01 -0.685853D+00
      2   0.115270D+01  0.362082D+01 -0.189283D+01  0.221978D+01  0.205952D+01
      3  -0.657310D+01 -0.300115D+01  0.190965D+01 -0.337250D+01 -0.242861D+01
                91            92            93            94            95 
      1  -0.426536D-01 -0.257028D+01  0.397051D+00 -0.249555D+01 -0.117888D+02
      2   0.213710D+01  0.154835D-01  0.153134D+00 -0.110753D+01 -0.206966D+01
      3   0.189428D+00  0.110739D+01  0.964543D+00  0.287756D+01  0.189161D+02
                96            97            98            99           100 
      1  -0.374631D+01 -0.558588D+00 -0.100919D+01  0.134266D+01  0.106420D+01
      2  -0.542196D+01 -0.757931D+00 -0.279085D+01  0.203513D+00 -0.192152D+01
      3   0.458854D+01  0.607589D+00  0.341652D+01  0.259825D+01  0.976113D+01
               101           102           103           104           105 
      1   0.213177D+01 -0.236175D+01  0.193379D+00  0.269484D+01 -0.337381D+01
      2  -0.897083D+00  0.795794D+00 -0.181491D+01 -0.191337D+01 -0.144766D+00
      3   0.725706D+01  0.625235D+00  0.892521D+01  0.113528D+02  0.283892D+01
               106           107           108           109           110 
      1   0.498329D+00  0.158511D+00  0.662919D+00 -0.383402D+01  0.158537D+01
      2   0.290084D+00  0.220945D-01  0.574317D+00  0.439179D+00  0.797704D+00
      3  -0.106748D+01  0.127883D-01 -0.920148D-01 -0.562228D+01  0.724208D+00
               111           112           113           114           115 
      1   0.734960D+01  0.567548D+00 -0.101689D+01 -0.219650D+01  0.511984D+01
      2   0.373941D+01 -0.666767D-01 -0.304560D+00 -0.107507D+01 -0.589309D+00
      3   0.341248D+01  0.154726D+01  0.307978D+00 -0.196485D+00  0.540000D+01
               116           117           118           119           120 
      1  -0.158033D+01 -0.638330D+01 -0.273161D+01  0.453284D-01  0.211315D+01
      2  -0.152868D+01 -0.320240D+01 -0.863681D+01  0.553545D+00  0.761828D+01
      3  -0.233079D+00 -0.423856D+01 -0.887837D+01 -0.441340D+01  0.224069D+01
               121           122           123           124           125 
      1   0.419095D+00 -0.599641D+00 -0.959401D+00  0.158688D+01  0.266789D+00
      2  -0.114686D+00 -0.166549D+01  0.302978D+00  0.426840D+01 -0.917889D+00
      3  -0.105177D+01 -0.487869D+00  0.132197D+01  0.244007D+01  0.242112D+01
               126           127           128           129           130 
      1  -0.837474D+00 -0.146686D+01 -0.116836D+01 -0.174650D+01 -0.121995D+01
      2  -0.253802D+01 -0.164030D+01 -0.614444D+00 -0.859595D+00 -0.792967D+00
      3  -0.523236D+00  0.660410D+01  0.597782D+01  0.254270D+01  0.762342D+01
               131           132           133           134           135 
      1  -0.381990D+01 -0.485233D+01 -0.429452D+00 -0.163146D+01 -0.210932D+01
      2  -0.270348D+01 -0.305042D+01 -0.147815D+01 -0.299245D+01 -0.128497D+01
      3   0.135475D+02  0.439682D+01  0.288422D+01  0.552071D+01  0.386252D+01
               136           137           138           139           140 
      1   0.629179D+00 -0.433459D+00  0.606579D+00 -0.513397D+00  0.145561D+00
      2   0.123513D+01 -0.553773D+00  0.180379D+01 -0.372808D+00  0.249944D+01
      3  -0.572237D-01  0.159774D+00 -0.814008D-01  0.138682D+01  0.282051D+01
               141           142           143           144           145 
      1  -0.214351D+01  0.753144D+00  0.143402D+01  0.882771D+01  0.113134D+01
      2  -0.322241D+01 -0.802457D+00 -0.456458D+01  0.180397D+02  0.830188D+01
      3  -0.224846D+01 -0.461876D+00 -0.416134D+01  0.467214D+01  0.496852D+01
               146           147           148           149           150 
      1  -0.217615D+01 -0.168943D+01 -0.376654D+00 -0.267721D+00  0.176473D+00
      2   0.453377D+00  0.186204D+01  0.102489D+01 -0.678066D+00 -0.312170D+00
      3  -0.312050D+01 -0.146744D+01  0.666407D+00 -0.730189D+00  0.935901D+00
               151           152           153           154           155 
      1  -0.103105D+01  0.206362D+01  0.120666D+01 -0.231528D+01  0.464996D+01
      2  -0.282484D+01 -0.627080D+00 -0.226493D+00 -0.503948D+01  0.424278D+01
      3  -0.140471D+01  0.133813D+01  0.149068D+01 -0.463608D+01  0.383323D+01
               156           157           158           159           160 
      1   0.132469D+01  0.423093D+01 -0.843590D+01 -0.110414D+01  0.238420D+00
      2  -0.181313D+01  0.516490D+01 -0.735115D+01  0.265932D+01 -0.315112D+01
      3  -0.144558D+01  0.704384D+01 -0.874694D+01  0.278215D+01 -0.133702D+01
               161           162           163           164           165 
      1   0.243324D+01 -0.616523D+00  0.271695D+01  0.409156D+01  0.174116D+01
      2   0.227262D+01 -0.206471D+01 -0.497316D+01 -0.253237D+01 -0.308572D+01
      3   0.178434D+01 -0.241289D+01  0.994133D+00  0.737179D+00 -0.626115D-01
               166           167           168           169           170 
      1   0.317207D+01  0.740483D+01  0.347541D+01  0.189781D+01  0.600393D+01
      2  -0.450642D+01 -0.533147D+01 -0.486174D+01 -0.478992D+01 -0.335408D+01
      3   0.279905D+01  0.260667D+01  0.208614D+01  0.381104D+00  0.119201D+01
               171 
      1   0.456135D+01
      2  -0.514208D+01
      3   0.146781D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.145080D+02 -0.865229D+01  0.192070D+02 -0.781399D+01  0.198952D+02
      2   0.141036D+02  0.128850D+02 -0.966953D+01  0.115775D+02 -0.944690D+01
      3   0.404481D+00 -0.423276D+01 -0.953749D+01 -0.376348D+01 -0.104483D+02
      4  -0.119168D+02  0.573306D+01  0.762942D+01  0.711767D+01  0.125589D+01
      5   0.268729D+02  0.543632D+01 -0.124657D+02  0.333886D+01 -0.114942D+01
      6   0.918330D+01 -0.982785D+01 -0.367704D+01 -0.892346D+01  0.623120D+01
                 6             7             8             9            10 
      1   0.459683D+01  0.131739D+02  0.426105D+01 -0.786973D+01  0.112513D+02
      2   0.921828D+01 -0.643550D+01  0.699764D+01 -0.175622D+01 -0.135781D+02
      3  -0.138151D+02 -0.673844D+01 -0.112587D+02  0.962595D+01  0.232681D+01
      4   0.614499D+01  0.620267D+01  0.405395D+01  0.600810D+01 -0.480215D+01
      5   0.137556D+01 -0.983624D+01  0.401306D+01 -0.599582D+01 -0.132296D+02
      6  -0.756695D+01 -0.199901D+01 -0.564645D+01 -0.841692D+01 -0.605446D+01
                11            12            13            14            15 
      1  -0.136227D+00 -0.106391D+02  0.487116D+01 -0.116990D+02 -0.212751D+01
      2  -0.473669D+00  0.413768D+01 -0.364824D+01 -0.898089D+00 -0.453800D+01
      3   0.609895D+00  0.650142D+01 -0.122292D+01  0.125970D+02  0.666550D+01
      4  -0.168808D+02 -0.564507D+01 -0.166942D+02 -0.875919D+01 -0.124735D+02
      5  -0.330220D+01 -0.105044D+01 -0.399023D+00 -0.142122D+02 -0.765999D+01
      6  -0.550850D+01 -0.356505D+00 -0.615269D+01 -0.511510D+01 -0.314560D+01
                16            17            18            19            20 
      1  -0.113375D+02 -0.128672D+01  0.334719D+01 -0.833956D+01 -0.825026D+01
      2   0.415827D+01 -0.216353D+01 -0.232683D+01  0.867640D+01  0.106481D+02
      3   0.717925D+01  0.345024D+01 -0.102036D+01 -0.336845D+00 -0.239784D+01
      4  -0.263557D+01 -0.947879D+01 -0.123262D+02  0.677812D+01  0.182396D+00
      5  -0.269816D+01 -0.114841D+02  0.994208D+01  0.179852D+01 -0.129956D+01
      6  -0.250362D+01 -0.601920D+01  0.183484D+00  0.485519D+01  0.627616D+01
                21            22            23            24            25 
      1  -0.369887D+00 -0.442014D+01  0.348338D+01 -0.379324D+01  0.498734D+01
      2   0.382846D+00  0.527526D+01  0.463875D+00 -0.479011D+01  0.127418D+01
      3  -0.129585D-01 -0.855119D+00 -0.394726D+01  0.858335D+01 -0.626152D+01
      4   0.824649D+00 -0.455928D+01  0.129872D+02  0.103436D+01 -0.116588D+01
      5  -0.213681D+01 -0.151266D+01  0.311769D+01  0.583200D+01  0.313318D+01
      6   0.456797D+01  0.110659D+01  0.742671D+00 -0.883685D+01 -0.452387D+00
                26            27            28            29            30 
      1  -0.813410D+01  0.779388D+01 -0.539874D+01  0.405816D+01 -0.788113D+00
      2   0.604870D-01  0.147950D+02  0.191572D+01 -0.482662D+01  0.733463D+01
      3   0.807362D+01 -0.225889D+02  0.348303D+01  0.768456D+00 -0.654651D+01
      4   0.525782D+01 -0.307199D+01  0.393391D+01  0.360983D+01  0.224491D+01
      5  -0.987403D+00 -0.182506D+01 -0.758723D+01  0.459498D+01 -0.196058D+01
      6   0.451325D+01  0.704677D+01 -0.160276D+01 -0.348037D+01  0.185199D+01
                31            32            33            34            35 
      1   0.847849D+01  0.188159D+02  0.262676D+01 -0.121947D+02  0.781587D+01
      2  -0.918417D+01 -0.355738D+02 -0.213815D+01  0.970113D+01 -0.390872D+01
      3   0.705683D+00  0.167579D+02 -0.488608D+00  0.249362D+01 -0.390715D+01
      4  -0.159599D+02 -0.207230D+02  0.332876D+01  0.395941D+01 -0.290171D+00
      5   0.738435D+01  0.590852D+01 -0.527726D+00  0.146157D+00  0.220910D+01
      6   0.510020D+00  0.219557D+01 -0.112021D+02 -0.111250D+01  0.375496D+00
                36            37            38            39            40 
      1  -0.137975D+01  0.364446D+02 -0.243603D+01  0.773177D+01  0.248041D+01
      2  -0.222955D+01 -0.243096D+02  0.254559D+01 -0.101356D+02 -0.160161D+01
      3   0.360929D+01 -0.121350D+02 -0.109564D+00  0.240387D+01 -0.878800D+00
      4   0.167938D+01 -0.226473D+01  0.732345D+01 -0.391944D-01  0.133758D+02
      5  -0.873255D+01  0.147326D+02 -0.158032D+01  0.144831D+02  0.230091D+01
      6  -0.166314D+01  0.646896D+00  0.132258D+01 -0.241004D+01  0.448631D+00
                41            42            43            44            45 
      1   0.697115D+01  0.435060D+01  0.116112D+02 -0.150434D+01  0.349679D+01
      2  -0.299878D+01 -0.381269D+01 -0.117579D+02  0.205493D+01 -0.156834D+02
      3  -0.397236D+01 -0.537912D+00  0.146682D+00 -0.550587D+00  0.121866D+02
      4   0.122796D+02  0.620755D+01 -0.276130D+01  0.329972D+01 -0.938854D+00
      5   0.637978D+01  0.316158D+01  0.162435D+02 -0.204855D+01  0.183040D+02
      6  -0.261091D+01  0.502931D+01  0.432763D+00  0.464100D+01  0.141273D+00
                46            47            48            49            50 
      1  -0.409320D+02  0.585588D+01  0.182401D+02 -0.280729D+01  0.169269D+02
      2   0.221783D+02 -0.107747D+02 -0.103795D+02 -0.552397D+01 -0.948051D+01
      3   0.187537D+02  0.491883D+01 -0.786060D+01  0.833126D+01 -0.744635D+01
      4   0.550369D+01  0.133751D+02 -0.232849D+01  0.138223D+02 -0.363406D+01
      5   0.139297D+02  0.224372D+00 -0.170333D+00  0.730425D+00  0.105012D+02
      6  -0.535791D+01  0.160445D+00  0.350353D+00  0.131866D+01 -0.509960D+01
                51            52            53            54            55 
      1   0.324726D+01  0.227098D+02  0.158655D+01  0.383925D+01  0.113722D+02
      2  -0.939550D+01 -0.105108D+02 -0.894069D+01  0.705734D+01 -0.586736D+01
      3   0.614824D+01 -0.121989D+02  0.735414D+01 -0.108966D+02 -0.550483D+01
      4   0.662358D+01 -0.222452D+01  0.484474D+01  0.105257D+02 -0.358926D+01
      5   0.957252D+01 -0.416308D+01  0.116388D+02 -0.280208D+02  0.585368D+01
      6  -0.416904D+01  0.172861D+01 -0.372936D+01  0.128004D+02 -0.890790D+01
                56            57            58            59            60 
      1   0.134534D+02  0.244172D+01  0.956017D+01  0.533793D+01  0.325658D+01
      2  -0.230998D+02 -0.667552D+01 -0.175984D+02 -0.313954D+00 -0.471609D+01
      3   0.964636D+01  0.423380D+01  0.803822D+01 -0.502398D+01  0.145950D+01
      4   0.248055D+01 -0.499883D+01  0.616215D+01 -0.195517D+02  0.284410D+01
      5  -0.358115D+01 -0.134880D+01 -0.271047D+01 -0.187728D+01 -0.371723D+00
      6  -0.300943D+01  0.666038D+01 -0.111120D+01 -0.870919D+01  0.353226D+01
                61            62            63            64            65 
      1  -0.112083D+01  0.318312D+01 -0.456371D+01  0.313559D+01  0.640962D+01
      2  -0.385248D+01 -0.504389D+01 -0.997452D+00  0.470498D+01 -0.218257D+01
      3   0.497331D+01  0.186077D+01  0.556116D+01 -0.784057D+01 -0.422705D+01
      4  -0.638688D+01  0.506552D+01  0.112131D+02  0.630260D+01  0.153599D+02
      5  -0.736364D+01  0.592680D+01  0.100052D+02 -0.122511D+01 -0.253146D+01
      6   0.129129D+02 -0.376140D+01 -0.635049D+01 -0.982034D+00 -0.153736D+01
                66            67            68            69            70 
      1   0.622663D+00  0.198418D+01 -0.359544D+02  0.115144D+01  0.562334D+00
      2  -0.144179D+01  0.354738D+01  0.667446D+02 -0.113134D+01 -0.207144D+01
      3   0.819130D+00 -0.553155D+01 -0.307902D+02 -0.201058D-01  0.150911D+01
      4  -0.201417D+01  0.226434D+02  0.342970D+02 -0.343937D+01 -0.199060D+01
      5   0.404465D+01 -0.220470D+01 -0.704925D+01  0.687778D+01  0.428691D+01
      6   0.787387D+00 -0.192053D+01 -0.291781D+01  0.186228D+02  0.204252D+01
                71            72            73            74            75 
      1  -0.569720D+00 -0.722860D+01  0.645321D+00  0.450200D+00 -0.652900D+00
      2  -0.100126D+01  0.640250D+01 -0.502832D+01 -0.537452D-02 -0.832311D+00
      3   0.157098D+01  0.826104D+00  0.438300D+01 -0.444825D+00  0.148521D+01
      4  -0.217729D+01  0.660133D+01 -0.144755D+00  0.152429D+01 -0.101771D+01
      5   0.738025D+01 -0.228709D+01  0.874382D+00 -0.187250D+01  0.681074D+01
      6   0.152834D+02 -0.199669D+01 -0.233308D+01 -0.769152D-01 -0.125134D+00
                76            77            78            79            80 
      1   0.380696D+00 -0.429869D+01  0.490871D+01 -0.459828D+00  0.379785D+01
      2   0.748565D+00 -0.137800D+01  0.415749D+01 -0.220012D+01  0.571792D+01
      3  -0.112926D+01  0.567669D+01 -0.906620D+01  0.265995D+01 -0.951577D+01
      4   0.226080D+01  0.441734D+00  0.185457D-01 -0.780037D-01 -0.243140D+01
      5  -0.112051D+01  0.300254D+00 -0.418632D+00  0.495053D+01  0.170925D+00
      6   0.106832D+01 -0.462591D+01  0.888999D+01 -0.126684D+01  0.619755D+01
                81            82            83            84            85 
      1  -0.187817D+02  0.105042D+02  0.549453D+01  0.538603D+01  0.427090D+01
      2  -0.197322D+02 -0.260955D+01 -0.672080D+00 -0.199780D+01  0.188165D+01
      3   0.385139D+02 -0.789467D+01 -0.482245D+01 -0.338823D+01 -0.615255D+01
      4   0.101197D+01  0.128990D+02  0.149234D+02  0.629623D+01  0.155407D+02
      5  -0.256558D-01  0.876770D+01  0.547904D+01  0.812784D+01  0.555318D+01
      6  -0.696288D+01  0.452134D+01  0.399007D+01  0.370106D+01  0.483318D+01
                86            87            88            89            90 
      1  -0.681032D+00  0.362111D+00  0.426680D+01 -0.122330D+01 -0.714251D+00
      2   0.114369D+02  0.384904D+01 -0.231970D+01  0.210791D+01 -0.136694D+01
      3  -0.107559D+02 -0.421115D+01 -0.194710D+01 -0.884605D+00  0.208119D+01
      4   0.219428D+02  0.948300D+01  0.577321D+01  0.941279D+01  0.933712D+01
      5   0.885236D+01  0.799412D+01  0.876937D+01  0.856450D+01  0.854845D+01
      6   0.107996D+02  0.877708D+01  0.438414D+01  0.988381D+01  0.815094D+01
                91            92            93            94            95 
      1   0.360743D+01 -0.368137D+01  0.465969D+00 -0.114806D+02 -0.358072D+01
      2  -0.549814D+00  0.946182D+00  0.178757D+01  0.718054D+01  0.322877D+01
      3  -0.305761D+01  0.273519D+01 -0.225354D+01  0.430009D+01  0.351956D+00
      4  -0.600732D+01  0.176431D+01 -0.238417D+01  0.122041D+01 -0.173158D+02
      5  -0.145702D+00 -0.234484D+01  0.616646D-02 -0.774421D+01 -0.115472D+01
      6  -0.102917D+01  0.207560D+01 -0.146768D+01  0.351137D+01 -0.154369D+01
                96            97            98            99           100 
      1  -0.545539D+01 -0.255877D+01 -0.894171D+00 -0.149552D+01 -0.554519D+01
      2   0.633270D+01  0.208724D+01  0.184252D+00  0.154216D+01  0.964526D+01
      3  -0.877314D+00  0.471538D+00  0.709919D+00 -0.466463D-01 -0.410007D+01
      4   0.511341D-01 -0.364547D+01  0.434256D+00 -0.360908D+01  0.820270D+01
      5  -0.860670D+01  0.100568D+01 -0.340604D+01  0.132627D+01  0.346696D+01
      6   0.305299D+01 -0.310719D+00  0.324875D+01 -0.357513D+01  0.266077D+01
               101           102           103           104           105 
      1  -0.139090D+02 -0.282471D+01 -0.888599D+01 -0.237790D+02 -0.557069D+01
      2   0.210348D+02  0.218254D+01  0.123716D+02  0.356093D+02  0.513147D+01
      3  -0.712576D+01  0.642173D+00 -0.348562D+01 -0.118302D+02  0.439215D+00
      4   0.827281D+01  0.291931D+00  0.801478D+01  0.593477D+01  0.153243D+00
      5   0.250463D+01  0.712588D+00  0.292327D+01  0.195641D+01 -0.694888D+00
      6   0.893311D+01  0.417513D+01  0.446261D+01  0.147455D+02  0.844562D+01
               106           107           108           109           110 
      1   0.132670D+01 -0.130955D+01 -0.135355D+01  0.417276D+01  0.167496D+01
      2  -0.678377D+00  0.956093D+00  0.108337D+01 -0.471374D+01 -0.194155D+01
      3  -0.648327D+00  0.353462D+00  0.270179D+00  0.540984D+00  0.266588D+00
      4  -0.248846D+00 -0.415267D+00  0.191968D+00 -0.131997D+02  0.914690D+01
      5   0.250832D+01  0.190797D+00  0.534762D+00 -0.145033D+02  0.772845D+01
      6  -0.350592D+00  0.494527D+01  0.163068D+01  0.117822D+02 -0.960848D+01
               111           112           113           114           115 
      1   0.350070D+00  0.132540D+01 -0.436738D+01 -0.318495D+01  0.792166D+00
      2   0.423304D+01 -0.224709D+01  0.499725D+01  0.310366D+01  0.458623D+01
      3  -0.458311D+01  0.921697D+00 -0.629871D+00  0.812891D-01 -0.537839D+01
      4   0.988702D+01  0.622824D+01 -0.569463D+01 -0.468145D+01  0.113013D+02
      5   0.144569D+02  0.293193D+01 -0.479926D+01 -0.354418D+01  0.153655D+02
      6  -0.147859D+02 -0.537217D+01  0.791197D+01  0.890198D+01 -0.136860D+02
               116           117           118           119           120 
      1  -0.533249D+01 -0.462554D+01  0.702606D+02 -0.685037D+01 -0.109189D+02
      2   0.256121D+01 -0.440106D+01 -0.348866D+02  0.154287D+01  0.552079D+01
      3   0.277128D+01  0.902660D+01 -0.353739D+02  0.530750D+01  0.539816D+01
      4  -0.732715D+01 -0.118196D+02 -0.182878D+02  0.107943D+02  0.225048D+01
      5  -0.816968D+01 -0.156602D+02 -0.611960D+01  0.479997D-01  0.106994D+02
      6   0.134717D+02  0.178377D+02  0.313239D+01  0.887481D-01 -0.341263D+01
               121           122           123           124           125 
      1   0.411075D+01  0.445838D+01 -0.860679D+00 -0.182810D+02  0.209999D+01
      2  -0.377123D+01 -0.474267D+00  0.155936D+01  0.963252D+01  0.462338D+00
      3  -0.339517D+00 -0.398411D+01 -0.698677D+00  0.864843D+01 -0.256233D+01
      4   0.813532D+01 -0.138167D+01 -0.282955D+01  0.568630D+01 -0.442173D+01
      5  -0.706980D-01 -0.243368D+01  0.457926D+00  0.109095D+02 -0.197733D+01
      6  -0.469456D+00  0.825409D+00  0.135009D+01 -0.264527D+01  0.168212D+01
               126           127           128           129           130 
      1   0.786430D+01 -0.104383D+01 -0.571343D+01 -0.403646D+01 -0.795552D+01
      2  -0.596398D+01  0.269791D+01  0.696293D+01  0.291965D+01  0.669467D+01
      3  -0.190032D+01 -0.165408D+01 -0.124950D+01  0.111681D+01  0.126086D+01
      4  -0.281077D+01  0.144254D+01 -0.341460D+01  0.588633D+00  0.319538D+01
      5  -0.392367D+01 -0.289102D+01 -0.108738D+01 -0.218502D+01 -0.223638D+01
      6   0.578980D+00  0.176425D+01  0.899197D+00  0.233699D+01  0.840403D+00
               131           132           133           134           135 
      1  -0.153843D+02 -0.493047D+01 -0.619601D+01 -0.451863D+01 -0.542269D+01
      2   0.252383D+02  0.773822D+01  0.318435D+01  0.785798D+01  0.346552D+01
      3  -0.985400D+01 -0.280775D+01  0.301167D+01 -0.333936D+01  0.195717D+01
      4  -0.151379D+02 -0.339911D+01  0.242752D+01 -0.675811D+01 -0.394436D+01
      5  -0.539345D+01 -0.675925D+01  0.358829D+00 -0.554236D+01 -0.144897D+01
      6   0.448824D+01  0.637484D+01  0.591278D+00  0.632044D+01  0.315659D+01
               136           137           138           139           140 
      1   0.594518D+01 -0.210129D+01  0.326386D+01 -0.144073D+00 -0.474165D+01
      2  -0.503871D+01  0.151295D+01 -0.230575D+01  0.367112D+00  0.313582D+01
      3  -0.906470D+00  0.588342D+00 -0.958113D+00 -0.223039D+00  0.160582D+01
      4  -0.307160D+01  0.154124D+01 -0.276392D+01  0.265725D+01 -0.503296D+01
      5   0.477826D+01 -0.222620D+01  0.817927D+01 -0.221683D+01  0.533369D+01
      6  -0.174395D+01  0.848218D+00 -0.164944D+01  0.178034D+01 -0.516472D+01
               141           142           143           144           145 
      1   0.240888D+01  0.566590D+01  0.223216D+01 -0.929467D+01  0.341773D+02
      2  -0.123904D+01 -0.552620D+01  0.372829D-01 -0.138924D+02 -0.236421D+02
      3  -0.116984D+01 -0.139704D+00 -0.226944D+01  0.231870D+02 -0.105352D+02
      4   0.576521D+01 -0.662446D+01  0.896201D+01 -0.971114D+01  0.160251D+02
      5  -0.685061D+01  0.136231D+02 -0.115342D+02  0.378882D+02 -0.350252D+02
      6   0.100414D+02 -0.375908D+01  0.106418D+02 -0.195579D+02 -0.747725D+01
               146           147           148           149           150 
      1   0.338763D+01 -0.103553D+02  0.260605D+01  0.101695D+01 -0.465327D+00
      2  -0.167613D+01  0.135489D+02 -0.991216D+00 -0.707222D-01 -0.580213D+00
      3  -0.171151D+01 -0.319360D+01 -0.161483D+01 -0.946231D+00  0.104554D+01
      4   0.928730D+01 -0.820359D+01  0.815314D+01  0.422206D+01 -0.456095D+01
      5  -0.615274D+01  0.237923D+02 -0.376948D+01 -0.454208D+01  0.212079D+01
      6  -0.529820D+01  0.644847D+01 -0.363268D+01 -0.323526D+01  0.498915D+01
               151           152           153           154           155 
      1  -0.572717D+01 -0.609967D+00  0.398208D+01 -0.399920D+01  0.849370D+01
      2   0.905032D+01  0.409541D+00 -0.985691D+01  0.342502D+01 -0.823794D+01
      3  -0.332315D+01  0.200426D+00  0.587483D+01  0.574179D+00 -0.255757D+00
      4  -0.500223D+01 -0.312744D+01  0.417712D+01 -0.813017D+00  0.860230D+00
      5   0.176160D+02  0.280156D+01 -0.145925D+02  0.106451D+01 -0.289542D+01
      6   0.452573D+01  0.406419D+01 -0.389863D+01 -0.500886D+01  0.875499D+01
               156           157           158           159           160 
      1  -0.696894D+01  0.797995D+01 -0.209623D+02  0.878816D+01 -0.378932D+01
      2   0.180402D+01 -0.797784D+01  0.229992D+02 -0.419159D+01  0.107344D+01
      3   0.516492D+01 -0.211040D-02 -0.203695D+01 -0.459657D+01  0.271588D+01
      4  -0.316541D+00  0.232723D+01  0.685509D+01 -0.417740D+01 -0.871217D+00
      5   0.177978D+01 -0.467634D+01  0.381158D+00  0.241643D+01  0.321770D+01
      6  -0.512664D+01  0.595092D+01 -0.202777D+02  0.132085D+02 -0.369740D+01
               161           162           163           164           165 
      1   0.614725D+01 -0.718695D+01 -0.152076D+01 -0.123708D+01 -0.728379D+01
      2  -0.276769D+01  0.189216D+01 -0.223785D+01 -0.234340D+01 -0.184936D+01
      3  -0.337955D+01  0.529480D+01  0.375861D+01  0.358048D+01  0.913315D+01
      4  -0.140251D+01  0.158020D+00  0.242502D+00 -0.954621D+00 -0.148656D+01
      5  -0.386814D+00  0.537490D+00  0.740984D+00  0.167300D+01  0.286704D+01
      6   0.105967D+02 -0.677355D+01  0.195105D+01  0.499800D+01  0.213131D+01
               166           167           168           169           170 
      1  -0.269586D+01 -0.807661D+01 -0.851911D+01 -0.486657D+01 -0.495087D+01
      2  -0.789757D+00  0.196030D-01 -0.613747D+01 -0.830666D+00 -0.479181D+01
      3   0.348562D+01  0.805700D+01  0.146566D+02  0.569724D+01  0.974268D+01
      4  -0.969446D+00 -0.575223D+01 -0.393981D+01 -0.171546D+01 -0.350095D+01
      5   0.349836D+01 -0.119708D+00 -0.437500D+01  0.459879D+01 -0.126114D+00
      6   0.390445D+01  0.101748D+02  0.834670D+01  0.239856D+01  0.821994D+01
               171 
      1  -0.101683D+02
      2  -0.779260D+01
      3   0.179609D+02
      4  -0.267177D+01
      5  -0.242083D+01
      6   0.648342D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 19:53:57 2021, MaxMem=  5368709120 cpu:            5297.2 elap:             663.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.18497 -19.13119 -14.35522 -10.31129 -10.24108
 Alpha  occ. eigenvalues --  -10.21125 -10.18409 -10.17734  -1.10575  -1.02494
 Alpha  occ. eigenvalues --   -0.92750  -0.81491  -0.71182  -0.69683  -0.61264
 Alpha  occ. eigenvalues --   -0.59698  -0.52688  -0.51685  -0.50077  -0.47676
 Alpha  occ. eigenvalues --   -0.44480  -0.44056  -0.42427  -0.40763  -0.39279
 Alpha  occ. eigenvalues --   -0.38019  -0.35677  -0.35133  -0.34845  -0.31732
 Alpha  occ. eigenvalues --   -0.30144  -0.26648
 Alpha virt. eigenvalues --   -0.02850  -0.00837  -0.00170   0.00547   0.01026
 Alpha virt. eigenvalues --    0.02525   0.02781   0.03371   0.04063   0.04857
 Alpha virt. eigenvalues --    0.05633   0.06079   0.06784   0.07014   0.07608
 Alpha virt. eigenvalues --    0.08675   0.08911   0.09205   0.09548   0.10074
 Alpha virt. eigenvalues --    0.10497   0.11450   0.11916   0.12349   0.12903
 Alpha virt. eigenvalues --    0.13073   0.13543   0.14225   0.14550   0.14836
 Alpha virt. eigenvalues --    0.15141   0.15318   0.15820   0.16733   0.18172
 Alpha virt. eigenvalues --    0.18697   0.18978   0.19900   0.20282   0.20831
 Alpha virt. eigenvalues --    0.22169   0.22260   0.22856   0.23523   0.24096
 Alpha virt. eigenvalues --    0.24646   0.25965   0.26368   0.27022   0.27598
 Alpha virt. eigenvalues --    0.28460   0.28983   0.29323   0.29817   0.30319
 Alpha virt. eigenvalues --    0.31111   0.33011   0.33250   0.34872   0.35492
 Alpha virt. eigenvalues --    0.36025   0.36393   0.37136   0.37456   0.37644
 Alpha virt. eigenvalues --    0.38429   0.39182   0.39261   0.40308   0.41155
 Alpha virt. eigenvalues --    0.41704   0.42335   0.43167   0.43996   0.44476
 Alpha virt. eigenvalues --    0.45926   0.46785   0.47381   0.47718   0.48572
 Alpha virt. eigenvalues --    0.49676   0.50037   0.50479   0.51458   0.52103
 Alpha virt. eigenvalues --    0.52618   0.54564   0.55267   0.56082   0.56295
 Alpha virt. eigenvalues --    0.57271   0.58431   0.59485   0.59936   0.61554
 Alpha virt. eigenvalues --    0.62560   0.62866   0.63794   0.64366   0.65286
 Alpha virt. eigenvalues --    0.66030   0.66271   0.67403   0.68427   0.68664
 Alpha virt. eigenvalues --    0.69675   0.70096   0.72132   0.72679   0.72766
 Alpha virt. eigenvalues --    0.74222   0.75132   0.76356   0.76566   0.78152
 Alpha virt. eigenvalues --    0.79591   0.80669   0.82048   0.82303   0.84021
 Alpha virt. eigenvalues --    0.85472   0.85678   0.86908   0.88983   0.89902
 Alpha virt. eigenvalues --    0.93944   0.95088   0.95494   0.96766   0.98311
 Alpha virt. eigenvalues --    0.99000   1.01042   1.03144   1.03968   1.05077
 Alpha virt. eigenvalues --    1.05145   1.08653   1.09910   1.12246   1.13341
 Alpha virt. eigenvalues --    1.15578   1.15910   1.16327   1.18340   1.20454
 Alpha virt. eigenvalues --    1.22323   1.24496   1.24761   1.26648   1.28723
 Alpha virt. eigenvalues --    1.29359   1.33114   1.36157   1.37285   1.40508
 Alpha virt. eigenvalues --    1.41000   1.43918   1.44677   1.48463   1.49410
 Alpha virt. eigenvalues --    1.51596   1.52818   1.53825   1.56648   1.58163
 Alpha virt. eigenvalues --    1.60899   1.64048   1.65468   1.66285   1.69432
 Alpha virt. eigenvalues --    1.71162   1.72279   1.73429   1.73810   1.75998
 Alpha virt. eigenvalues --    1.77323   1.78474   1.79808   1.80663   1.83059
 Alpha virt. eigenvalues --    1.83715   1.86234   1.88207   1.88988   1.90658
 Alpha virt. eigenvalues --    1.92190   1.93956   1.95011   1.96782   2.00426
 Alpha virt. eigenvalues --    2.02523   2.03572   2.03922   2.06777   2.08178
 Alpha virt. eigenvalues --    2.08553   2.11265   2.12430   2.14204   2.16735
 Alpha virt. eigenvalues --    2.17165   2.18787   2.19873   2.22315   2.23638
 Alpha virt. eigenvalues --    2.26404   2.27135   2.29536   2.31087   2.32203
 Alpha virt. eigenvalues --    2.35232   2.36435   2.37442   2.40093   2.45004
 Alpha virt. eigenvalues --    2.46794   2.49215   2.49712   2.52773   2.54158
 Alpha virt. eigenvalues --    2.57169   2.60752   2.61169   2.63656   2.65791
 Alpha virt. eigenvalues --    2.67287   2.69496   2.74663   2.74977   2.83444
 Alpha virt. eigenvalues --    2.84474   2.87791   2.90779   3.00536   3.06319
 Alpha virt. eigenvalues --    3.11889   3.14798   3.25800   3.32153   3.37895
 Alpha virt. eigenvalues --    3.41831   3.43429   3.47021   3.47340   3.49479
 Alpha virt. eigenvalues --    3.50585   3.57041   3.64728   3.79894   3.85776
 Alpha virt. eigenvalues --    4.04527
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.906690  -0.224294  -0.485569   0.025836   0.008674  -0.190188
     2  C   -0.224294   8.859635   0.342071  -0.976832   0.065849  -0.409486
     3  C   -0.485569   0.342071  10.065929  -2.126352   0.174078  -0.420851
     4  C    0.025836  -0.976832  -2.126352   7.599786  -0.382413   0.198343
     5  O    0.008674   0.065849   0.174078  -0.382413   8.531367  -0.005659
     6  C   -0.190188  -0.409486  -0.420851   0.198343  -0.005659   5.050657
     7  N    0.036859   0.026142  -0.730848   0.367523  -0.083559   0.029079
     8  O    0.038632   0.013407   0.071494   0.041600  -0.061411  -0.010109
     9  H    0.156733  -0.013369  -1.553556   0.138388   0.010896   0.045868
    10  H    0.058509  -1.713911   0.165708   0.202899   0.001208   0.103591
    11  H    0.001171  -0.038604  -0.216061   0.054166   0.161534   0.011633
    12  H   -0.016171  -0.030952  -0.110624  -0.014098   0.012479   0.023279
    13  H   -0.014490  -0.031724   0.308642  -0.073433  -0.008765  -0.012818
    14  H   -0.018888   0.479001   0.100016  -0.071708  -0.002902  -0.148851
    15  H   -0.152258  -0.312140  -0.073646   0.157093  -0.013036   0.481550
    16  H    0.042328   0.184926  -0.286906   0.039022   0.011216   0.066677
    17  H    0.034820   0.063312   0.034675  -0.019372  -0.004533   0.154267
    18  H   -0.231275   0.509973  -0.273184   0.079547   0.002582  -0.109477
    19  H    0.451061  -0.283704  -0.032049   0.010148   0.032766  -0.097606
               7          8          9         10         11         12
     1  C    0.036859   0.038632   0.156733   0.058509   0.001171  -0.016171
     2  C    0.026142   0.013407  -0.013369  -1.713911  -0.038604  -0.030952
     3  C   -0.730848   0.071494  -1.553556   0.165708  -0.216061  -0.110624
     4  C    0.367523   0.041600   0.138388   0.202899   0.054166  -0.014098
     5  O   -0.083559  -0.061411   0.010896   0.001208   0.161534   0.012479
     6  C    0.029079  -0.010109   0.045868   0.103591   0.011633   0.023279
     7  N    6.890506  -0.032013   0.023719  -0.019562   0.098015   0.220640
     8  O   -0.032013   8.457909   0.041525   0.004264   0.010261   0.002758
     9  H    0.023719   0.041525   2.781588   0.009212   0.033716   0.063751
    10  H   -0.019562   0.004264   0.009212   2.990276   0.004259  -0.022148
    11  H    0.098015   0.010261   0.033716   0.004259   0.691286   0.001636
    12  H    0.220640   0.002758   0.063751  -0.022148   0.001636   1.044986
    13  H    0.256744   0.000766  -0.143889   0.021807  -0.017329  -0.159352
    14  H   -0.027498  -0.001036   0.028766  -0.078091  -0.001959  -0.003149
    15  H    0.032724  -0.032422  -0.030935   0.136308   0.001916  -0.002084
    16  H    0.035104   0.025571   0.032705  -0.123373   0.003045   0.009433
    17  H   -0.011507   0.005273   0.003334  -0.111499   0.003483   0.004449
    18  H    0.054042  -0.011341   0.019470  -0.048149  -0.005966  -0.011074
    19  H    0.008004   0.013057   0.020876   0.098217  -0.006801  -0.000136
              13         14         15         16         17         18
     1  C   -0.014490  -0.018888  -0.152258   0.042328   0.034820  -0.231275
     2  C   -0.031724   0.479001  -0.312140   0.184926   0.063312   0.509973
     3  C    0.308642   0.100016  -0.073646  -0.286906   0.034675  -0.273184
     4  C   -0.073433  -0.071708   0.157093   0.039022  -0.019372   0.079547
     5  O   -0.008765  -0.002902  -0.013036   0.011216  -0.004533   0.002582
     6  C   -0.012818  -0.148851   0.481550   0.066677   0.154267  -0.109477
     7  N    0.256744  -0.027498   0.032724   0.035104  -0.011507   0.054042
     8  O    0.000766  -0.001036  -0.032422   0.025571   0.005273  -0.011341
     9  H   -0.143889   0.028766  -0.030935   0.032705   0.003334   0.019470
    10  H    0.021807  -0.078091   0.136308  -0.123373  -0.111499  -0.048149
    11  H   -0.017329  -0.001959   0.001916   0.003045   0.003483  -0.005966
    12  H   -0.159352  -0.003149  -0.002084   0.009433   0.004449  -0.011074
    13  H    0.987365  -0.001030   0.002763  -0.005119  -0.001772  -0.002611
    14  H   -0.001030   1.951856  -0.452148  -0.464605  -0.031076   0.025776
    15  H    0.002763  -0.452148   1.777586  -0.326004  -0.013336  -0.000597
    16  H   -0.005119  -0.464605  -0.326004   2.053415   0.044340  -0.028584
    17  H   -0.001772  -0.031076  -0.013336   0.044340   2.226567  -0.611788
    18  H   -0.002611   0.025776  -0.000597  -0.028584  -0.611788   2.345792
    19  H    0.000132  -0.016469   0.005922  -0.000968  -0.434983  -0.334206
              19
     1  C    0.451061
     2  C   -0.283704
     3  C   -0.032049
     4  C    0.010148
     5  O    0.032766
     6  C   -0.097606
     7  N    0.008004
     8  O    0.013057
     9  H    0.020876
    10  H    0.098217
    11  H   -0.006801
    12  H   -0.000136
    13  H    0.000132
    14  H   -0.016469
    15  H    0.005922
    16  H   -0.000968
    17  H   -0.434983
    18  H   -0.334206
    19  H    1.737272
 Mulliken charges:
               1
     1  C    1.571818
     2  C   -0.509299
     3  C    1.047032
     4  C    0.749858
     5  O   -0.450371
     6  C    1.240100
     7  N   -0.174115
     8  O   -0.578184
     9  H   -0.668798
    10  H   -0.679525
    11  H    0.210597
    12  H   -0.013622
    13  H   -0.105887
    14  H   -0.266005
    15  H   -0.187257
    16  H   -0.312223
    17  H   -0.334654
    18  H   -0.368931
    19  H   -0.170532
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.697700
     2  C   -1.188825
     3  C    0.378234
     4  C    0.749858
     5  O   -0.239774
     6  C    0.474616
     7  N   -0.293624
     8  O   -0.578184
 Electronic spatial extent (au):  <R**2>=            986.9402
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.9319    Y=             -4.4499    Z=             -1.8064  Tot=              5.1765
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -51.9308   YY=            -53.4140   ZZ=            -48.3781
   XY=             -4.4606   XZ=             -3.2260   YZ=              2.1673
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.6898   YY=             -2.1730   ZZ=              2.8629
   XY=             -4.4606   XZ=             -3.2260   YZ=              2.1673
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              4.9149  YYY=            -21.0264  ZZZ=             -5.8154  XYY=             -1.4907
  XXY=             -7.8289  XXZ=             -5.5391  XZZ=              5.5918  YZZ=             -3.2415
  YYZ=             -3.2699  XYZ=              0.9431
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -637.0601 YYYY=           -414.0084 ZZZZ=           -250.5173 XXXY=             -9.1362
 XXXZ=            -14.3598 YYYX=            -10.3335 YYYZ=             18.7973 ZZZX=             -2.5419
 ZZZY=              7.2366 XXYY=           -177.1124 XXZZ=           -145.4445 YYZZ=           -104.1829
 XXYZ=              1.4848 YYXZ=             -1.3998 ZZXY=             -7.2601
 N-N= 4.132313650954D+02 E-N=-1.765713040091D+03  KE= 4.000151489425D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 19:53:57 2021, MaxMem=  5368709120 cpu:               1.6 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-7.42875624D-01-1.76742091D+00-7.18479099D-01
 Polarizability= 7.60944835D+01-2.69602986D+00 7.76509700D+01
                 1.43288919D+00-1.41107153D+00 6.81616490D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -1.0759   -1.0767       -1.3829   -1.3835
 2      1.0759    1.0767        0.5924    0.5925        1.1277    1.1286
 3      1.3829    1.3835        4.0148    4.0148       -0.5919   -0.5925
 4     -0.5924   -0.5925       -0.0000    0.0000        1.3843    1.3835
 5     -5.1425   -5.1434       -1.3843   -1.3835       -1.0762   -1.0767
 6      0.5919    0.5925        1.0762    1.0767        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        3.2300    3.2300       -4.1504   -4.1504
 2     -1.7775   -1.7775       -0.0000    0.0000       -4.1504   -4.1504
 3     -1.7775   -1.7775        3.2300    3.2300        0.0000    0.0000
 4      3.2300    3.2300        1.7775    1.7775        3.3858    3.3858
 5      4.1504    4.1504       12.0445   12.0445       -1.7775   -1.7775
 6    -15.4303  -15.4303       -4.1504   -4.1504       -3.2300   -3.2300
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0510    0.0000        4.3321    4.3066        5.4524    5.5339
 2     -4.2785   -4.3066       -2.2903   -2.3699       -4.4657   -4.5143
 3     -5.5129   -5.5339      -16.1236  -16.0594        2.4193    2.3699
 4      2.3582    2.3699       -0.0092    0.0000       -5.5556   -5.5339
 5     20.5487   20.5737        5.5477    5.5339        4.3142    4.3066
 6     -2.3544   -2.3699       -4.3034   -4.3066       -0.0102    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0041    0.0000       -2.5351   -2.5389      -14.0615  -14.1117
 2      2.5282    2.5389      -15.1665  -15.1750       -9.3072   -9.4568
 3     14.1200   14.1117        2.7430    2.8195       15.0822   15.1750
 4     15.1886   15.1750        0.0342    0.0000       14.1097   14.1117
 5      6.6434    6.6374      -14.1242  -14.1117       -2.5395   -2.5389
 6    -15.1876  -15.1750        2.5148    2.5389       -0.0553    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      9.0767    9.0440      -11.2054  -11.2304       30.3702   30.4852
 2     28.0727   28.0336      -17.1500  -17.2070       30.4569   30.4852
 3     28.0961   28.0336      -11.1607  -11.2304       39.5776   39.6421
 4      5.9481    5.9766      -18.9694  -18.9896       -7.3117   -7.3879
 5      9.2222    9.1570        7.7785    7.8396       18.8975   18.9896
 6     -0.4551   -0.4517       -9.0997   -9.1570       -6.0260   -5.9766
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.4651   -2.9788    0.0009    0.0011    0.0012   13.4907
 Low frequencies ---   65.1584  100.3754  185.6660
 Diagonal vibrational polarizability:
       18.3332205      12.2401217      17.5770428
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     65.1563               100.3671               185.6656
 Red. masses --      4.0782                 3.1778                 4.3754
 Frc consts  --      0.0102                 0.0189                 0.0889
 IR Inten    --      1.4837                 1.1040                 4.3311
 RamAct Fr= 1--      0.9782                 0.5878                 0.8166
  Dep-P Fr= 1--      0.7500                 0.7483                 0.5269
  Dep-U Fr= 1--      0.8571                 0.8560                 0.6901
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0035
 Beta2  Fr= 1--      0.1397                 0.0839                 0.0939
 AlphaG Fr= 1--     -0.0000                -0.0001                 0.0011
 Gamma2 Fr= 1--     -0.3370                 0.3084                 0.1469
 Delta2 Fr= 1--     -0.2824                 0.2197                 0.0808
 Raman1 Fr= 1--       3.913                  2.351                  3.266
 ROA1   Fr= 1--     -41.393                 36.632                 16.692
 CID1   Fr= 1--     -10.578                 15.580                  5.110
 Raman2 Fr= 1--       1.677                  1.006                  1.127
 ROA2   Fr= 1--      -5.829                  5.643                  2.880
 CID2   Fr= 1--      -3.476                  5.608                  2.556
 Raman3 Fr= 1--       3.354                  2.013                  2.254
 ROA3   Fr= 1--     -41.393                 36.632                 16.692
 CID3   Fr= 1--     -12.342                 18.200                  7.405
 RC180  Fr= 1--       0.714                  0.712                  0.380
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.22   0.06    -0.14  -0.12  -0.08    -0.21  -0.08   0.01
     2   6    -0.00   0.00   0.01    -0.03   0.02  -0.05    -0.07  -0.03   0.03
     3   6     0.00   0.00   0.01     0.01  -0.04   0.05    -0.04   0.09   0.10
     4   6     0.01  -0.03   0.06     0.01   0.01  -0.00     0.10   0.05   0.03
     5   8     0.16  -0.08  -0.14     0.18   0.07  -0.15     0.15  -0.02  -0.07
     6   6    -0.07  -0.08  -0.18     0.08   0.10   0.04    -0.20  -0.13  -0.03
     7   7    -0.00  -0.01  -0.05     0.00  -0.05   0.15    -0.03   0.09   0.03
     8   8    -0.12  -0.02   0.25    -0.12   0.01   0.04     0.27   0.05  -0.06
     9   1     0.02   0.03   0.02     0.07  -0.12   0.02    -0.05   0.12   0.11
    10   1     0.05  -0.10   0.13    -0.05   0.11  -0.16     0.06  -0.07  -0.04
    11   1     0.17  -0.07  -0.23     0.20   0.06  -0.14     0.03  -0.01  -0.00
    12   1    -0.01  -0.00   0.10    -0.01  -0.04   0.44    -0.02   0.08  -0.12
    13   1    -0.13  -0.04  -0.14    -0.17  -0.20   0.05     0.05   0.17   0.08
    14   1    -0.05  -0.06  -0.13     0.02   0.08  -0.13    -0.19  -0.20  -0.00
    15   1    -0.09   0.02  -0.35     0.05   0.01   0.23    -0.28  -0.05  -0.09
    16   1    -0.13  -0.28  -0.22     0.24   0.27   0.06    -0.25  -0.20  -0.05
    17   1     0.04   0.18   0.08    -0.17  -0.03  -0.13    -0.23  -0.30  -0.13
    18   1     0.11   0.30   0.19    -0.26  -0.21  -0.13    -0.06   0.01   0.05
    19   1    -0.05   0.35  -0.07    -0.06  -0.24   0.02    -0.44  -0.02   0.11
                      4                      5                      6
                      A                      A                      A
 Frequencies --    229.7088               253.1510               260.3132
 Red. masses --      1.0680                 1.2691                 1.4055
 Frc consts  --      0.0332                 0.0479                 0.0561
 IR Inten    --      0.2579                 4.1690                 6.3164
 RamAct Fr= 1--      0.0166                 0.2047                 0.2246
  Dep-P Fr= 1--      0.6504                 0.4400                 0.6314
  Dep-U Fr= 1--      0.7882                 0.6111                 0.7741
 Alpha2 Fr= 1--      0.0000                 0.0013                 0.0005
 Beta2  Fr= 1--      0.0022                 0.0209                 0.0290
 AlphaG Fr= 1--     -0.0008                -0.0048                -0.0018
 Gamma2 Fr= 1--      0.0057                -0.1279                -0.1696
 Delta2 Fr= 1--     -0.0143                -0.0438                -0.0174
 Raman1 Fr= 1--       0.066                  0.819                  0.898
 ROA1   Fr= 1--       0.094                -13.678                -16.840
 CID1   Fr= 1--       1.417                -16.702                -18.748
 Raman2 Fr= 1--       0.026                  0.250                  0.348
 ROA2   Fr= 1--       0.252                 -2.718                 -3.932
 CID2   Fr= 1--       9.664                -10.862                -11.310
 Raman3 Fr= 1--       0.052                  0.500                  0.695
 ROA3   Fr= 1--       0.094                -13.678                -16.840
 CID3   Fr= 1--       1.798                -27.329                -24.220
 RC180  Fr= 1--       0.576                  0.222                  0.548
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.04  -0.03     0.08   0.01  -0.05     0.09  -0.03  -0.05
     2   6    -0.00   0.01  -0.02     0.02   0.03  -0.04    -0.00   0.01  -0.04
     3   6     0.00  -0.00  -0.00     0.02   0.01  -0.03     0.00   0.03  -0.02
     4   6    -0.00   0.00   0.00     0.01   0.00  -0.00     0.01   0.03   0.01
     5   8    -0.01   0.01   0.00    -0.02  -0.02   0.02    -0.02  -0.02   0.01
     6   6     0.03   0.03   0.01    -0.06  -0.00   0.02    -0.08  -0.03  -0.02
     7   7    -0.01  -0.01   0.03    -0.04  -0.02   0.04    -0.03   0.01   0.06
     8   8    -0.01   0.01   0.01     0.02   0.01   0.01     0.05   0.03   0.03
     9   1     0.02  -0.02  -0.01     0.06  -0.03  -0.04     0.05  -0.01  -0.03
    10   1    -0.01   0.02  -0.03     0.03   0.02  -0.05     0.02  -0.00  -0.04
    11   1     0.01   0.01  -0.02    -0.01  -0.01  -0.05    -0.02  -0.01  -0.07
    12   1    -0.01  -0.00   0.13    -0.09   0.02   0.33    -0.06   0.03   0.40
    13   1    -0.07  -0.06  -0.01    -0.22  -0.19  -0.06    -0.24  -0.18  -0.07
    14   1     0.17   0.24   0.44    -0.12  -0.18  -0.18    -0.03  -0.05   0.13
    15   1     0.32   0.08  -0.39    -0.24  -0.04   0.27    -0.06   0.02  -0.14
    16   1    -0.39  -0.22  -0.02     0.12   0.18   0.05    -0.24  -0.12  -0.03
    17   1     0.01  -0.31  -0.08     0.12  -0.39  -0.07     0.10   0.35   0.10
    18   1     0.22   0.09  -0.03     0.43   0.22  -0.03    -0.24  -0.25  -0.16
    19   1    -0.23   0.06   0.02    -0.24   0.19  -0.04     0.48  -0.23  -0.09
                      7                      8                      9
                      A                      A                      A
 Frequencies --    282.6595               338.2040               352.9728
 Red. masses --      1.5344                 3.8020                 2.4962
 Frc consts  --      0.0722                 0.2562                 0.1832
 IR Inten    --     13.4650                12.7816                 1.3585
 RamAct Fr= 1--      0.1671                 0.6570                 1.2463
  Dep-P Fr= 1--      0.6921                 0.3238                 0.5768
  Dep-U Fr= 1--      0.8181                 0.4892                 0.7316
 Alpha2 Fr= 1--      0.0002                 0.0063                 0.0041
 Beta2  Fr= 1--      0.0228                 0.0536                 0.1520
 AlphaG Fr= 1--      0.0042                 0.0008                -0.0010
 Gamma2 Fr= 1--      0.1790                 0.2025                -0.2724
 Delta2 Fr= 1--      0.2035                 0.2524                 0.0001
 Raman1 Fr= 1--       0.668                  2.628                  4.985
 ROA1   Fr= 1--      23.699                 27.519                -26.147
 CID1   Fr= 1--      35.457                 10.471                 -5.245
 Raman2 Fr= 1--       0.273                  0.643                  1.824
 ROA2   Fr= 1--       2.668                  2.842                 -6.539
 CID2   Fr= 1--       9.759                  4.421                 -3.586
 Raman3 Fr= 1--       0.547                  1.286                  3.647
 ROA3   Fr= 1--      23.699                 27.519                -26.147
 CID3   Fr= 1--      43.343                 21.407                 -7.169
 RC180  Fr= 1--       0.636                 -0.022                  0.463
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.01   0.06    -0.04   0.05   0.00    -0.08   0.14  -0.08
     2   6     0.01  -0.03   0.04    -0.03  -0.04  -0.02     0.01   0.03  -0.09
     3   6     0.01  -0.01   0.02    -0.04   0.01  -0.05     0.08  -0.03  -0.04
     4   6     0.01   0.01   0.00    -0.05   0.03  -0.07     0.04  -0.06   0.00
     5   8    -0.04   0.01   0.04    -0.16  -0.19  -0.15     0.06   0.02   0.06
     6   6     0.04  -0.01   0.00     0.02   0.01   0.06    -0.14   0.01   0.17
     7   7     0.08   0.02  -0.12     0.22   0.11   0.16     0.09  -0.04  -0.03
     8   8     0.02   0.01  -0.03     0.05   0.05   0.05    -0.04  -0.07  -0.03
     9   1    -0.05   0.02   0.04    -0.07  -0.15  -0.10     0.15  -0.02  -0.04
    10   1     0.02  -0.03   0.04    -0.06  -0.04   0.01     0.02   0.04  -0.11
    11   1     0.11   0.01  -0.17    -0.32  -0.17  -0.37     0.12   0.01   0.09
    12   1     0.10  -0.02   0.57     0.40  -0.06   0.25     0.11  -0.06  -0.05
    13   1    -0.45  -0.16  -0.51     0.30   0.15   0.21     0.10  -0.02  -0.02
    14   1     0.03   0.02  -0.03     0.03   0.03   0.08    -0.02  -0.18   0.43
    15   1     0.05  -0.02   0.01     0.08  -0.06   0.13    -0.12  -0.02   0.20
    16   1     0.09  -0.02  -0.00     0.01   0.11   0.08    -0.45   0.17   0.22
    17   1    -0.13   0.04  -0.03    -0.05   0.07  -0.02    -0.12   0.29  -0.14
    18   1    -0.13   0.01   0.14    -0.03   0.09   0.11    -0.18   0.12   0.08
    19   1    -0.12   0.02   0.07    -0.08   0.12  -0.06    -0.05   0.17  -0.16
                     10                     11                     12
                      A                      A                      A
 Frequencies --    431.8771               468.6452               542.9599
 Red. masses --      3.2835                 2.8717                 4.8056
 Frc consts  --      0.3608                 0.3716                 0.8347
 IR Inten    --      0.8990                 1.7200                 3.0389
 RamAct Fr= 1--      1.2313                 0.3711                 5.9722
  Dep-P Fr= 1--      0.7047                 0.5161                 0.0531
  Dep-U Fr= 1--      0.8268                 0.6808                 0.1009
 Alpha2 Fr= 1--      0.0010                 0.0017                 0.1171
 Beta2  Fr= 1--      0.1697                 0.0421                 0.1005
 AlphaG Fr= 1--      0.0002                -0.0020                -0.0199
 Gamma2 Fr= 1--      0.2878                -0.1864                 0.5385
 Delta2 Fr= 1--     -0.2851                 0.0100                 0.1770
 Raman1 Fr= 1--       4.925                  1.485                 23.889
 ROA1   Fr= 1--      18.503                -17.577                 57.356
 CID1   Fr= 1--       3.757                -11.840                  2.401
 Raman2 Fr= 1--       2.036                  0.505                  1.205
 ROA2   Fr= 1--       9.188                 -4.554                 11.507
 CID2   Fr= 1--       4.513                 -9.011                  9.546
 Raman3 Fr= 1--       4.072                  1.011                  2.411
 ROA3   Fr= 1--      18.503                -17.577                 57.356
 CID3   Fr= 1--       4.544                -17.391                 23.791
 RC180  Fr= 1--       0.654                  0.362                 -0.798
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.05  -0.01    -0.05  -0.06   0.09     0.01   0.03  -0.07
     2   6    -0.13   0.10   0.03     0.18   0.19   0.11     0.09  -0.06  -0.05
     3   6    -0.07  -0.01   0.11     0.13   0.06  -0.05     0.02   0.19   0.09
     4   6    -0.03  -0.10   0.08     0.08  -0.02  -0.10    -0.02  -0.06   0.13
     5   8     0.06  -0.04   0.04    -0.05  -0.08  -0.01     0.06  -0.14   0.01
     6   6    -0.12   0.15  -0.09    -0.07   0.03  -0.03     0.13  -0.13   0.03
     7   7     0.17   0.08  -0.00     0.01   0.00   0.02    -0.12   0.26   0.06
     8   8    -0.04  -0.13  -0.10    -0.11  -0.03  -0.02    -0.15  -0.10  -0.18
     9   1    -0.00   0.04   0.12     0.04  -0.01  -0.07     0.11   0.37   0.14
    10   1    -0.16   0.13   0.02     0.21   0.17   0.10     0.22  -0.10  -0.13
    11   1     0.14  -0.04  -0.03    -0.10  -0.07  -0.09    -0.11  -0.12  -0.09
    12   1     0.34  -0.09   0.12    -0.07   0.07  -0.02    -0.16   0.30   0.19
    13   1     0.02   0.26  -0.16     0.06  -0.09   0.08    -0.14   0.13   0.08
    14   1    -0.16   0.17  -0.17    -0.05  -0.21  -0.05     0.15  -0.08   0.09
    15   1    -0.17   0.20  -0.13    -0.33   0.25  -0.17     0.21  -0.19   0.06
    16   1    -0.04   0.05  -0.11    -0.13  -0.19  -0.07     0.10  -0.05   0.05
    17   1     0.19  -0.21   0.22    -0.15  -0.13  -0.20    -0.02   0.15  -0.13
    18   1     0.23  -0.04  -0.29    -0.16  -0.16  -0.03    -0.05   0.04   0.12
    19   1     0.17  -0.11   0.02    -0.15  -0.24   0.43    -0.00   0.10  -0.15
                     13                     14                     15
                      A                      A                      A
 Frequencies --    657.7769               742.1711               804.2921
 Red. masses --      4.7487                 4.4488                 2.4578
 Frc consts  --      1.2105                 1.4438                 0.9367
 IR Inten    --      8.8674                10.0187                30.6583
 RamAct Fr= 1--      1.4835                 7.9681                 6.9422
  Dep-P Fr= 1--      0.7139                 0.0369                 0.0641
  Dep-U Fr= 1--      0.8331                 0.0711                 0.1205
 Alpha2 Fr= 1--      0.0009                 0.1624                 0.1326
 Beta2  Fr= 1--      0.2060                 0.0945                 0.1394
 AlphaG Fr= 1--     -0.0018                -0.0410                -0.0843
 Gamma2 Fr= 1--     -1.0878                -1.3713                 0.0713
 Delta2 Fr= 1--      0.0620                -0.0707                -0.0496
 Raman1 Fr= 1--       5.934                 31.872                 27.769
 ROA1   Fr= 1--    -102.447               -133.906                  5.253
 CID1   Fr= 1--     -17.265                 -4.201                  0.189
 Raman2 Fr= 1--       2.472                  1.134                  1.673
 ROA2   Fr= 1--     -26.604                -32.346                  2.107
 CID2   Fr= 1--     -10.764                -28.534                  1.260
 Raman3 Fr= 1--       4.943                  2.267                  3.345
 ROA3   Fr= 1--    -102.447               -133.906                  5.253
 CID3   Fr= 1--     -20.725                -59.063                  1.570
 RC180  Fr= 1--       0.666                 -0.858                 -0.759
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02  -0.06    -0.04  -0.04   0.08     0.01  -0.04   0.14
     2   6     0.07   0.04  -0.02    -0.19  -0.11  -0.02    -0.00  -0.04  -0.06
     3   6     0.09  -0.03   0.27     0.09   0.04  -0.03     0.06  -0.00  -0.17
     4   6    -0.10   0.16   0.22     0.30   0.13  -0.10    -0.13   0.02   0.18
     5   8    -0.04  -0.12  -0.09     0.06  -0.15   0.13     0.06  -0.01  -0.03
     6   6    -0.01   0.02   0.00    -0.07   0.04  -0.02    -0.05   0.07  -0.03
     7   7     0.04  -0.23  -0.05    -0.00  -0.04  -0.01    -0.02   0.00  -0.07
     8   8    -0.03   0.17  -0.12    -0.15   0.13  -0.05     0.02   0.02  -0.05
     9   1     0.27   0.03   0.28     0.02  -0.03  -0.05     0.28   0.16  -0.13
    10   1     0.07   0.07  -0.07    -0.07  -0.14  -0.09    -0.08  -0.04   0.04
    11   1    -0.26  -0.09  -0.31    -0.17  -0.10  -0.19    -0.28  -0.01   0.21
    12   1    -0.14  -0.06  -0.43    -0.08   0.04  -0.07     0.09  -0.09   0.36
    13   1    -0.13   0.03  -0.25     0.08  -0.14   0.07     0.34  -0.36   0.31
    14   1     0.03  -0.14   0.07    -0.12   0.41  -0.05    -0.04   0.10  -0.02
    15   1    -0.11   0.08  -0.01     0.23  -0.15   0.03    -0.01   0.03   0.01
    16   1    -0.11   0.01   0.01     0.07   0.15  -0.01    -0.05   0.13  -0.01
    17   1     0.03   0.02  -0.04     0.08  -0.02   0.42    -0.03  -0.00   0.06
    18   1     0.03   0.02  -0.09     0.11   0.05   0.09    -0.04  -0.05   0.26
    19   1     0.04   0.01  -0.05     0.10   0.08  -0.21    -0.05  -0.02   0.16
                     16                     17                     18
                      A                      A                      A
 Frequencies --    844.1253               867.5843               920.4063
 Red. masses --      2.0377                 1.1752                 1.8060
 Frc consts  --      0.8555                 0.5212                 0.9014
 IR Inten    --     15.7014                73.4120                74.4035
 RamAct Fr= 1--      2.5427                 1.2885                 0.7240
  Dep-P Fr= 1--      0.7486                 0.1547                 0.3009
  Dep-U Fr= 1--      0.8562                 0.2679                 0.4627
 Alpha2 Fr= 1--      0.0001                 0.0197                 0.0074
 Beta2  Fr= 1--      0.3629                 0.0575                 0.0558
 AlphaG Fr= 1--     -0.0003                 0.0879                -0.0182
 Gamma2 Fr= 1--      0.8908                 0.0473                -0.0522
 Delta2 Fr= 1--      0.2771                 0.0768                 0.1133
 Raman1 Fr= 1--      10.171                  5.154                  2.896
 ROA1   Fr= 1--      94.384                  7.002                 -1.384
 CID1   Fr= 1--       9.280                  1.359                 -0.478
 Raman2 Fr= 1--       4.354                  0.690                  0.670
 ROA2   Fr= 1--      19.162                  0.522                 -2.159
 CID2   Fr= 1--       4.401                  0.756                 -3.222
 Raman3 Fr= 1--       8.709                  1.381                  1.340
 ROA3   Fr= 1--      94.384                  7.002                 -1.384
 CID3   Fr= 1--      10.838                  5.071                 -1.033
 RC180  Fr= 1--       0.712                 -0.464                 -0.075
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.05   0.10    -0.01   0.00  -0.02    -0.02  -0.05   0.01
     2   6    -0.03  -0.05  -0.05    -0.01   0.00   0.01     0.03  -0.03  -0.01
     3   6     0.13   0.10   0.01     0.03   0.00   0.06     0.07  -0.03   0.15
     4   6    -0.05  -0.07  -0.02     0.03  -0.01  -0.05     0.04  -0.03  -0.05
     5   8    -0.07   0.05  -0.07     0.00   0.01  -0.05    -0.08   0.04  -0.04
     6   6    -0.05   0.04  -0.03    -0.00  -0.00   0.00    -0.01   0.06  -0.01
     7   7     0.06  -0.01   0.07     0.03   0.01  -0.03    -0.08   0.03  -0.08
     8   8     0.03  -0.07   0.02    -0.01  -0.01   0.02     0.01  -0.03   0.02
     9   1     0.25   0.10   0.01    -0.02   0.03   0.08    -0.01   0.10   0.19
    10   1     0.13  -0.09  -0.14     0.04   0.01  -0.04     0.13   0.09  -0.28
    11   1     0.18   0.03  -0.02    -0.64  -0.01   0.72     0.14   0.04  -0.23
    12   1    -0.37   0.38  -0.36    -0.00   0.03   0.13     0.20  -0.21   0.31
    13   1    -0.31  -0.03  -0.25    -0.09  -0.03  -0.11     0.37  -0.06   0.34
    14   1    -0.05   0.20   0.01    -0.01   0.01  -0.01     0.00  -0.07   0.00
    15   1     0.12  -0.09   0.04     0.00   0.00  -0.01    -0.11   0.13  -0.04
    16   1    -0.03   0.19  -0.00     0.01  -0.02  -0.00    -0.08   0.01  -0.02
    17   1     0.02   0.03   0.21     0.03  -0.01   0.06     0.05   0.09   0.22
    18   1     0.03   0.00   0.22     0.02   0.01  -0.03     0.09   0.06   0.23
    19   1     0.03   0.05  -0.06     0.02   0.02  -0.07     0.05   0.13  -0.30
                     19                     20                     21
                      A                      A                      A
 Frequencies --    940.1008               951.7660               976.8342
 Red. masses --      1.5866                 1.5169                 1.4812
 Frc consts  --      0.8262                 0.8096                 0.8327
 IR Inten    --     28.3909                 0.8385                 2.2908
 RamAct Fr= 1--      3.2075                 2.1862                 2.5631
  Dep-P Fr= 1--      0.4559                 0.7096                 0.7499
  Dep-U Fr= 1--      0.6263                 0.8301                 0.8571
 Alpha2 Fr= 1--      0.0192                 0.0015                 0.0000
 Beta2  Fr= 1--      0.3348                 0.3025                 0.3661
 AlphaG Fr= 1--     -0.0168                 0.0084                -0.0002
 Gamma2 Fr= 1--     -1.1187                 0.5607                 0.2979
 Delta2 Fr= 1--     -1.0012                 0.3679                 0.4255
 Raman1 Fr= 1--      12.830                  8.745                 10.253
 ROA1   Fr= 1--    -139.432                 65.603                 42.217
 CID1   Fr= 1--     -10.868                  7.502                  4.118
 Raman2 Fr= 1--       4.017                  3.630                  4.394
 ROA2   Fr= 1--     -18.838                 10.514                  3.746
 CID2   Fr= 1--      -4.689                  2.897                  0.853
 Raman3 Fr= 1--       8.035                  7.259                  8.787
 ROA3   Fr= 1--    -139.432                 65.603                 42.217
 CID3   Fr= 1--     -17.353                  9.037                  4.804
 RC180  Fr= 1--       0.253                  0.660                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.09   0.03     0.02   0.02   0.09    -0.09  -0.00   0.07
     2   6     0.08  -0.05  -0.05     0.06  -0.01  -0.09    -0.05   0.07  -0.05
     3   6    -0.10  -0.04  -0.02    -0.05  -0.05   0.06     0.00  -0.01  -0.04
     4   6     0.01   0.02  -0.01     0.03   0.01  -0.03    -0.02   0.00   0.01
     5   8     0.04  -0.03   0.04     0.00  -0.01   0.01     0.01  -0.01   0.01
     6   6     0.00   0.09  -0.01    -0.01   0.02  -0.11     0.12  -0.05  -0.01
     7   7     0.00   0.02   0.04    -0.03   0.03  -0.00     0.01   0.01   0.01
     8   8    -0.01   0.03  -0.00    -0.01   0.01   0.01     0.00   0.01  -0.00
     9   1    -0.13  -0.15  -0.06    -0.05  -0.10   0.04     0.03  -0.02  -0.05
    10   1    -0.08   0.14  -0.21     0.16  -0.19   0.10    -0.18   0.24  -0.20
    11   1    -0.07  -0.02   0.10    -0.04  -0.00   0.03    -0.00  -0.01   0.02
    12   1    -0.02   0.03  -0.14     0.09  -0.09   0.02    -0.05   0.07  -0.05
    13   1    -0.22   0.22  -0.19    -0.06   0.19  -0.05    -0.04  -0.01  -0.04
    14   1     0.01  -0.17  -0.04     0.14  -0.12   0.25     0.19  -0.51   0.10
    15   1    -0.24   0.27  -0.09     0.10  -0.23   0.24    -0.20   0.09   0.04
    16   1    -0.10  -0.07  -0.03    -0.32   0.58   0.02    -0.17  -0.07   0.00
    17   1    -0.04   0.20  -0.11    -0.01  -0.11  -0.03     0.10  -0.12   0.54
    18   1    -0.03   0.00   0.58    -0.04  -0.06  -0.10     0.16   0.08  -0.19
    19   1    -0.10   0.18  -0.22     0.01  -0.14   0.32     0.16  -0.01  -0.11
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1079.1748              1094.5876              1127.2108
 Red. masses --      3.3100                 1.6390                 1.5110
 Frc consts  --      2.2713                 1.1570                 1.1312
 IR Inten    --      8.9736                11.4462                 1.7731
 RamAct Fr= 1--      2.6118                 6.2492                 1.0965
  Dep-P Fr= 1--      0.3554                 0.6643                 0.7119
  Dep-U Fr= 1--      0.5244                 0.7983                 0.8317
 Alpha2 Fr= 1--      0.0225                 0.0095                 0.0007
 Beta2  Fr= 1--      0.2283                 0.8314                 0.1520
 AlphaG Fr= 1--     -0.0077                -0.0137                -0.0036
 Gamma2 Fr= 1--     -1.3762                -1.1580                 0.8941
 Delta2 Fr= 1--     -0.3319                -1.9675                 0.7547
 Raman1 Fr= 1--      10.447                 24.997                  4.386
 ROA1   Fr= 1--    -142.732               -174.128                109.982
 CID1   Fr= 1--     -13.662                 -6.966                 25.076
 Raman2 Fr= 1--       2.739                  9.977                  1.824
 ROA2   Fr= 1--     -30.373                -12.053                 15.420
 CID2   Fr= 1--     -11.088                 -1.208                  8.454
 Raman3 Fr= 1--       5.478                 19.954                  3.648
 ROA3   Fr= 1--    -142.732               -174.128                109.982
 CID3   Fr= 1--     -26.054                 -8.726                 30.150
 RC180  Fr= 1--       0.049                  0.597                  0.663
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.04   0.06     0.05   0.01   0.07    -0.07  -0.02   0.01
     2   6     0.01   0.11  -0.08    -0.08   0.07  -0.11     0.09   0.09  -0.01
     3   6    -0.20   0.28  -0.01     0.03  -0.06   0.03     0.02  -0.06  -0.04
     4   6     0.05  -0.02  -0.00     0.08  -0.00   0.01    -0.07   0.01   0.01
     5   8    -0.01   0.03   0.00    -0.04   0.02  -0.03     0.03  -0.02   0.01
     6   6     0.02  -0.08  -0.01     0.01  -0.06   0.06    -0.07  -0.05   0.03
     7   7     0.05  -0.21   0.01    -0.05   0.03  -0.00    -0.03   0.02   0.01
     8   8    -0.01  -0.04   0.00    -0.00  -0.01   0.01     0.01   0.02  -0.01
     9   1    -0.11   0.40   0.03     0.61  -0.08  -0.04    -0.07  -0.29  -0.11
    10   1     0.24   0.12  -0.31    -0.26   0.14  -0.05     0.43   0.03  -0.25
    11   1    -0.07   0.02  -0.01    -0.09   0.02  -0.06     0.04  -0.02   0.08
    12   1     0.29  -0.44   0.10     0.18  -0.18  -0.01     0.15  -0.15   0.00
    13   1     0.13  -0.05   0.03    -0.10   0.36  -0.10    -0.09   0.28  -0.09
    14   1     0.03   0.05   0.03    -0.06   0.05  -0.10    -0.12   0.36  -0.04
    15   1     0.17  -0.18   0.03     0.07  -0.03  -0.08     0.23  -0.17  -0.05
    16   1     0.08   0.03   0.01     0.17  -0.25   0.01     0.22  -0.02   0.02
    17   1    -0.02   0.09  -0.01    -0.04   0.01  -0.18     0.05   0.00   0.32
    18   1    -0.01  -0.01   0.24    -0.10  -0.07   0.13     0.13   0.08  -0.04
    19   1    -0.04   0.05   0.00    -0.09  -0.03   0.24     0.11   0.02  -0.17
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1190.8111              1210.6104              1250.3467
 Red. masses --      2.3767                 1.9921                 1.5617
 Frc consts  --      1.9857                 1.7202                 1.4385
 IR Inten    --     26.6574                 2.2117                 3.8816
 RamAct Fr= 1--      6.2701                 4.7003                 3.0481
  Dep-P Fr= 1--      0.6943                 0.4144                 0.5245
  Dep-U Fr= 1--      0.8196                 0.5860                 0.6881
 Alpha2 Fr= 1--      0.0061                 0.0330                 0.0134
 Beta2  Fr= 1--      0.8565                 0.4591                 0.3496
 AlphaG Fr= 1--     -0.0078                 0.0106                 0.0192
 Gamma2 Fr= 1--      2.0969                -0.0724                -2.1324
 Delta2 Fr= 1--      2.4394                 0.2843                -1.1554
 Raman1 Fr= 1--      25.080                 18.801                 12.192
 ROA1   Fr= 1--     279.367                  2.150               -241.683
 CID1   Fr= 1--      11.139                  0.114                -19.822
 Raman2 Fr= 1--      10.278                  5.509                  4.195
 ROA2   Fr= 1--      30.812                 -4.011                -41.935
 CID2   Fr= 1--       2.998                 -0.728                 -9.997
 Raman3 Fr= 1--      20.556                 11.017                  8.389
 ROA3   Fr= 1--     279.367                  2.150               -241.683
 CID3   Fr= 1--      13.591                  0.195                -28.808
 RC180  Fr= 1--       0.639                  0.172                  0.376
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.02  -0.03     0.02  -0.11  -0.06    -0.02  -0.03  -0.03
     2   6     0.09  -0.10   0.05    -0.05   0.15   0.14    -0.03  -0.03   0.08
     3   6    -0.04   0.02  -0.10     0.03  -0.04  -0.04     0.04   0.08  -0.01
     4   6     0.16   0.00   0.15     0.04   0.00   0.07    -0.10  -0.01  -0.10
     5   8    -0.06   0.08  -0.06    -0.02   0.03  -0.02     0.03  -0.05   0.02
     6   6    -0.00   0.07   0.01     0.00  -0.08  -0.10     0.04   0.03  -0.02
     7   7    -0.04  -0.02   0.04     0.00   0.02  -0.00    -0.04  -0.03   0.02
     8   8    -0.01  -0.07  -0.00     0.00  -0.02  -0.00     0.00   0.04   0.00
     9   1     0.17   0.06  -0.10     0.06  -0.09  -0.05     0.54   0.14  -0.04
    10   1     0.09  -0.24   0.27    -0.20   0.17   0.25     0.09  -0.23   0.28
    11   1    -0.37   0.09  -0.26    -0.15   0.03  -0.11     0.25  -0.07   0.24
    12   1     0.19  -0.24  -0.08    -0.02   0.03  -0.03     0.27  -0.32   0.07
    13   1    -0.18   0.30  -0.15    -0.01   0.02  -0.02    -0.09   0.31  -0.08
    14   1    -0.02  -0.02  -0.04     0.12  -0.02   0.23     0.07  -0.12   0.04
    15   1    -0.12   0.17  -0.05     0.14  -0.32   0.21    -0.12   0.08   0.06
    16   1    -0.04  -0.01  -0.00    -0.10   0.33  -0.01    -0.12   0.03  -0.01
    17   1     0.04  -0.10   0.27    -0.02   0.25  -0.05    -0.01   0.04   0.01
    18   1     0.09   0.07  -0.23     0.04   0.02   0.36     0.03   0.02   0.01
    19   1     0.13  -0.03  -0.14    -0.12   0.19  -0.36     0.00   0.05  -0.16
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1304.1075              1344.0115              1372.9483
 Red. masses --      1.6053                 1.2774                 1.4136
 Frc consts  --      1.6086                 1.3596                 1.5699
 IR Inten    --      7.6546                12.1445                 8.7819
 RamAct Fr= 1--      3.6187                 3.9294                 3.3666
  Dep-P Fr= 1--      0.5874                 0.4753                 0.4980
  Dep-U Fr= 1--      0.7401                 0.6444                 0.6649
 Alpha2 Fr= 1--      0.0110                 0.0217                 0.0168
 Beta2  Fr= 1--      0.4464                 0.4220                 0.3731
 AlphaG Fr= 1--     -0.0329                -0.0594                -0.0162
 Gamma2 Fr= 1--      0.2707                -0.6193                 2.3541
 Delta2 Fr= 1--      0.8153                -0.2194                -0.3545
 Raman1 Fr= 1--      14.475                 15.718                 13.466
 ROA1   Fr= 1--      52.078                -66.476                214.651
 CID1   Fr= 1--       3.598                 -4.229                 15.940
 Raman2 Fr= 1--       5.357                  5.064                  4.477
 ROA2   Fr= 1--      -0.026                -13.108                 59.335
 CID2   Fr= 1--      -0.005                 -2.588                 13.253
 Raman3 Fr= 1--      10.713                 10.128                  8.954
 ROA3   Fr= 1--      52.078                -66.476                214.651
 CID3   Fr= 1--       4.861                 -6.563                 23.972
 RC180  Fr= 1--       0.480                  0.289                  0.330
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.02  -0.00     0.02   0.03  -0.00    -0.01   0.04   0.01
     2   6     0.13   0.03  -0.04     0.01  -0.05   0.05     0.06  -0.09   0.10
     3   6    -0.12  -0.09   0.02     0.08  -0.05  -0.06    -0.06   0.06   0.02
     4   6     0.01  -0.00  -0.06    -0.00  -0.00   0.01    -0.02   0.00  -0.02
     5   8    -0.00  -0.01   0.01    -0.01  -0.01  -0.01     0.02   0.01   0.02
     6   6    -0.05  -0.02   0.01    -0.02  -0.02  -0.03    -0.03  -0.02  -0.04
     7   7     0.04   0.02   0.00    -0.03  -0.01   0.05     0.00   0.00  -0.03
     8   8    -0.01   0.03   0.01    -0.00   0.02  -0.00     0.00  -0.02   0.01
     9   1     0.43   0.56   0.19    -0.30   0.58   0.19     0.46  -0.38  -0.17
    10   1    -0.27   0.05   0.31    -0.26   0.36  -0.32    -0.24   0.44  -0.42
    11   1     0.08  -0.02   0.04     0.09  -0.02   0.09    -0.10   0.02  -0.08
    12   1    -0.14   0.18  -0.02     0.15  -0.18  -0.00    -0.04   0.05   0.02
    13   1     0.04  -0.21   0.05    -0.13   0.23  -0.09     0.06  -0.06   0.03
    14   1    -0.05   0.13   0.00    -0.01   0.12   0.03     0.02   0.14   0.11
    15   1     0.11  -0.06  -0.06    -0.00  -0.06   0.03    -0.04  -0.06   0.05
    16   1     0.13   0.03   0.01    -0.04   0.12   0.00    -0.00   0.15  -0.01
    17   1     0.00   0.00   0.15     0.01  -0.07  -0.05    -0.03  -0.09  -0.13
    18   1     0.12   0.08  -0.01    -0.06  -0.02  -0.04     0.01   0.01  -0.19
    19   1     0.10  -0.01  -0.14     0.01  -0.03   0.09     0.11  -0.01  -0.02
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1381.2699              1411.7578              1413.6579
 Red. masses --      1.3360                 1.4691                 1.3259
 Frc consts  --      1.5019                 1.7252                 1.5611
 IR Inten    --     54.1259               185.1708               124.5755
 RamAct Fr= 1--      4.5101                 3.4349                 1.5595
  Dep-P Fr= 1--      0.6941                 0.1197                 0.1188
  Dep-U Fr= 1--      0.8194                 0.2138                 0.2124
 Alpha2 Fr= 1--      0.0044                 0.0573                 0.0261
 Beta2  Fr= 1--      0.6160                 0.1224                 0.0552
 AlphaG Fr= 1--     -0.0080                 0.0407                 0.0301
 Gamma2 Fr= 1--      0.9395                -1.0307                -0.3590
 Delta2 Fr= 1--     -0.1545                -0.7047                -0.3503
 Raman1 Fr= 1--      18.040                 13.740                  6.238
 ROA1   Fr= 1--      85.251               -121.501                -45.675
 CID1   Fr= 1--       4.726                 -8.843                 -7.322
 Raman2 Fr= 1--       7.392                  1.469                  0.662
 ROA2   Fr= 1--      23.785                -19.100                 -5.814
 CID2   Fr= 1--       3.218                -13.005                 -8.776
 Raman3 Fr= 1--      14.783                  2.937                  1.325
 ROA3   Fr= 1--      85.251               -121.501                -45.675
 CID3   Fr= 1--       5.767                -41.365                -34.475
 RC180  Fr= 1--       0.639                 -0.572                 -0.575
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.01   0.01     0.01  -0.01   0.07    -0.01  -0.03   0.07
     2   6    -0.07   0.02   0.07    -0.02   0.01   0.02     0.00   0.02  -0.04
     3   6    -0.05  -0.10  -0.03    -0.05  -0.03  -0.02     0.04   0.01   0.02
     4   6    -0.01  -0.00  -0.03     0.09  -0.01   0.08    -0.05   0.01  -0.04
     5   8     0.02   0.02   0.02    -0.06  -0.02  -0.06     0.04   0.01   0.03
     6   6     0.02   0.02  -0.01     0.03  -0.03   0.01     0.05  -0.08   0.03
     7   7     0.02   0.02   0.01     0.01   0.02  -0.00    -0.01  -0.01   0.00
     8   8     0.01  -0.00   0.01    -0.02   0.04  -0.02     0.01  -0.03   0.01
     9   1     0.28   0.34   0.09     0.07  -0.05  -0.04    -0.12   0.05   0.05
    10   1     0.60  -0.12  -0.39     0.20  -0.04  -0.13    -0.10  -0.05   0.17
    11   1    -0.29   0.06  -0.26     0.51  -0.11   0.46    -0.31   0.07  -0.27
    12   1    -0.06   0.08  -0.07    -0.01   0.03  -0.01     0.01  -0.02   0.01
    13   1    -0.03  -0.10  -0.01     0.01  -0.12   0.02    -0.01   0.06  -0.01
    14   1     0.04  -0.09   0.03    -0.02   0.13  -0.06    -0.07   0.36  -0.17
    15   1    -0.04   0.00   0.09    -0.14   0.11  -0.05    -0.28   0.23  -0.17
    16   1    -0.05  -0.09  -0.02    -0.12   0.12   0.04    -0.20   0.29   0.10
    17   1    -0.02   0.01  -0.12    -0.12   0.08  -0.27    -0.13   0.08  -0.26
    18   1    -0.05  -0.05  -0.08     0.04  -0.08  -0.33     0.11  -0.03  -0.26
    19   1    -0.04   0.06  -0.01     0.00   0.20  -0.24     0.07   0.15  -0.27
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1434.4863              1490.7957              1494.9096
 Red. masses --      1.2343                 1.0395                 1.0530
 Frc consts  --      1.4965                 1.3611                 1.3865
 IR Inten    --     11.8249                 0.3869                 3.5180
 RamAct Fr= 1--      0.7505                 8.0834                 0.5038
  Dep-P Fr= 1--      0.4762                 0.7493                 0.7088
  Dep-U Fr= 1--      0.6452                 0.8567                 0.8296
 Alpha2 Fr= 1--      0.0041                 0.0001                 0.0004
 Beta2  Fr= 1--      0.0807                 1.1541                 0.0697
 AlphaG Fr= 1--      0.0020                -0.0010                -0.0032
 Gamma2 Fr= 1--     -0.1300                 0.4985                -0.3130
 Delta2 Fr= 1--     -0.0325                 0.2141                -0.0409
 Raman1 Fr= 1--       3.002                 32.334                  2.015
 ROA1   Fr= 1--     -13.522                 54.703                -31.358
 CID1   Fr= 1--      -4.505                  1.692                -15.561
 Raman2 Fr= 1--       0.968                 13.849                  0.836
 ROA2   Fr= 1--      -2.861                 10.250                 -7.185
 CID2   Fr= 1--      -2.954                  0.740                 -8.596
 Raman3 Fr= 1--       1.937                 27.699                  1.672
 ROA3   Fr= 1--     -13.522                 54.703                -31.358
 CID3   Fr= 1--      -6.982                  1.975                -18.758
 RC180  Fr= 1--       0.290                  0.713                  0.659
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.09     0.03   0.02   0.01    -0.03   0.01   0.01
     2   6    -0.01   0.01   0.02    -0.00   0.00  -0.01    -0.01   0.01  -0.03
     3   6    -0.03  -0.01  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.02   0.00   0.01    -0.00  -0.00  -0.00     0.01   0.01   0.01
     5   8    -0.01  -0.00  -0.01     0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6     0.06  -0.08   0.01    -0.03  -0.02  -0.01     0.01   0.00  -0.04
     7   7     0.01   0.01  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     8   8    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     9   1     0.12  -0.02  -0.01    -0.01   0.01   0.00    -0.06   0.01   0.01
    10   1     0.11  -0.02  -0.07     0.02  -0.05   0.05     0.03  -0.06   0.05
    11   1     0.08  -0.01   0.06    -0.00   0.00  -0.02     0.02  -0.00   0.02
    12   1    -0.03   0.04  -0.01     0.00  -0.01  -0.00    -0.01   0.01   0.00
    13   1     0.02  -0.06   0.02    -0.00  -0.00  -0.00     0.00   0.01   0.00
    14   1    -0.04   0.39  -0.10     0.15  -0.04   0.42     0.12   0.33   0.35
    15   1    -0.35   0.22  -0.10    -0.16   0.20  -0.24    -0.38  -0.01   0.39
    16   1    -0.22   0.28   0.09     0.49   0.20   0.01     0.13  -0.31  -0.09
    17   1     0.16  -0.05   0.35     0.09  -0.27   0.12    -0.07  -0.20  -0.21
    18   1    -0.11   0.05   0.36    -0.38  -0.23  -0.04     0.09   0.12   0.20
    19   1    -0.12  -0.20   0.33    -0.13   0.22  -0.17     0.37  -0.15  -0.07
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1507.6131              1513.9948              1656.1238
 Red. masses --      1.0446                 1.0564                 1.0912
 Frc consts  --      1.3988                 1.4266                 1.7634
 IR Inten    --      9.4583                12.4635                47.2885
 RamAct Fr= 1--      6.3008                 1.1448                 3.6190
  Dep-P Fr= 1--      0.7376                 0.7500                 0.5961
  Dep-U Fr= 1--      0.8490                 0.8571                 0.7469
 Alpha2 Fr= 1--      0.0013                 0.0000                 0.0103
 Beta2  Fr= 1--      0.8915                 0.1635                 0.4505
 AlphaG Fr= 1--      0.0015                 0.0000                -0.0252
 Gamma2 Fr= 1--      0.9087                 0.1122                -0.8249
 Delta2 Fr= 1--     -0.3144                 0.0508                -0.4012
 Raman1 Fr= 1--      25.203                  4.579                 14.476
 ROA1   Fr= 1--      77.172                 12.399                -92.035
 CID1   Fr= 1--       3.062                  2.708                 -6.358
 Raman2 Fr= 1--      10.698                  1.963                  5.406
 ROA2   Fr= 1--      24.324                  2.286                -16.589
 CID2   Fr= 1--       2.274                  1.165                 -3.069
 Raman3 Fr= 1--      21.396                  3.925                 10.812
 ROA3   Fr= 1--      77.172                 12.399                -92.035
 CID3   Fr= 1--       3.607                  3.159                 -8.512
 RC180  Fr= 1--       0.698                  0.714                  0.494
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.04  -0.00     0.03   0.00   0.01     0.00  -0.00   0.00
     2   6     0.00  -0.03  -0.02     0.04   0.00  -0.02    -0.00  -0.00   0.00
     3   6     0.00   0.00   0.00    -0.01   0.00   0.01    -0.01  -0.01  -0.02
     4   6    -0.00   0.00  -0.00    -0.01   0.00  -0.01     0.01  -0.00   0.01
     5   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.01   0.00  -0.02     0.02   0.02  -0.02     0.00   0.00  -0.00
     7   7    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.02  -0.07  -0.02
     8   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     9   1    -0.02   0.01   0.01     0.00  -0.01  -0.00     0.01   0.05  -0.01
    10   1    -0.02  -0.01  -0.03    -0.08   0.03   0.06     0.03  -0.02  -0.02
    11   1    -0.02   0.00  -0.01    -0.01   0.00  -0.02     0.03  -0.00   0.01
    12   1     0.01  -0.01  -0.00    -0.00   0.00   0.01    -0.41   0.36   0.44
    13   1    -0.01  -0.01  -0.01     0.01  -0.00   0.00     0.25   0.65   0.06
    14   1     0.10   0.11   0.30    -0.05   0.25  -0.11     0.00  -0.01   0.01
    15   1    -0.21   0.06   0.08    -0.08  -0.17   0.41    -0.01   0.01  -0.00
    16   1     0.24  -0.08  -0.04    -0.28  -0.34  -0.06     0.00   0.00   0.00
    17   1    -0.02   0.59   0.13     0.12  -0.08   0.25    -0.00   0.02   0.00
    18   1     0.30   0.08  -0.29    -0.35  -0.26  -0.19     0.00  -0.00  -0.02
    19   1    -0.37  -0.00   0.28    -0.33   0.28  -0.11    -0.02   0.01   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1834.5192              2985.8625              3036.3373
 Red. masses --      9.3980                 1.0830                 1.0362
 Frc consts  --     18.6350                 5.6890                 5.6286
 IR Inten    --    283.5996                33.5231                20.4500
 RamAct Fr= 1--     12.0673               124.4617                10.6243
  Dep-P Fr= 1--      0.2874                 0.3079                 0.1940
  Dep-U Fr= 1--      0.4465                 0.4708                 0.3250
 Alpha2 Fr= 1--      0.1285                 1.2466                 0.1466
 Beta2  Fr= 1--      0.8979                 9.7663                 0.5754
 AlphaG Fr= 1--     -0.0082                 0.9616                 0.0944
 Gamma2 Fr= 1--      1.1542                 5.1561                -1.0560
 Delta2 Fr= 1--     -0.4378                -2.6292                -1.2499
 Raman1 Fr= 1--      48.269                497.847                 42.497
 ROA1   Fr= 1--      96.792                410.851               -141.371
 CID1   Fr= 1--       2.005                  0.825                 -3.327
 Raman2 Fr= 1--      10.775                117.195                  6.905
 ROA2   Fr= 1--      31.203                144.780                -15.344
 CID2   Fr= 1--       2.896                  1.235                 -2.222
 Raman3 Fr= 1--      21.550                234.390                 13.810
 ROA3   Fr= 1--      96.792                410.851               -141.371
 CID3   Fr= 1--       4.491                  1.753                -10.237
 RC180  Fr= 1--      -0.107                 -0.058                 -0.350
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00   0.00     0.00   0.01   0.00     0.00  -0.00   0.04
     2   6    -0.01   0.01   0.01    -0.04  -0.06  -0.04     0.00   0.00   0.00
     3   6    -0.01  -0.05  -0.01    -0.00  -0.00   0.00    -0.00   0.00  -0.01
     4   6    -0.04   0.70  -0.05     0.00   0.00   0.00     0.00   0.00   0.00
     5   8    -0.02  -0.06  -0.02    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.00   0.00   0.00     0.01   0.00   0.00     0.02  -0.02   0.01
     7   7     0.00  -0.01   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     8   8     0.02  -0.43   0.03    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   1     0.07   0.15   0.03    -0.01   0.02  -0.06     0.01  -0.05   0.14
    10   1     0.07  -0.01  -0.04     0.47   0.73   0.47    -0.01  -0.02  -0.01
    11   1     0.38  -0.02   0.34     0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   1     0.00  -0.01   0.03    -0.00   0.01   0.00    -0.00  -0.00   0.00
    13   1    -0.00   0.02  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    14   1    -0.00  -0.06  -0.02    -0.04  -0.00   0.02    -0.36  -0.04   0.14
    15   1     0.07  -0.02  -0.03    -0.02  -0.04  -0.02     0.12   0.21   0.12
    16   1     0.00   0.01   0.00     0.00   0.01  -0.05    -0.01   0.06  -0.37
    17   1    -0.00  -0.01  -0.01    -0.03   0.00   0.01     0.41   0.05  -0.14
    18   1    -0.03  -0.01   0.01     0.02  -0.03   0.00    -0.22   0.36  -0.07
    19   1    -0.01   0.02  -0.01    -0.03  -0.06  -0.04    -0.21  -0.36  -0.24
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3037.7537              3041.4443              3095.7370
 Red. masses --      1.0630                 1.0560                 1.1021
 Frc consts  --      5.7796                 5.7552                 6.2228
 IR Inten    --     19.0056                21.1253                23.0286
 RamAct Fr= 1--     55.1913               368.6929                61.4939
  Dep-P Fr= 1--      0.1648                 0.0230                 0.7473
  Dep-U Fr= 1--      0.2829                 0.0450                 0.8553
 Alpha2 Fr= 1--      0.8217                 7.7631                 0.0029
 Beta2  Fr= 1--      2.6024                 2.7648                 8.7665
 AlphaG Fr= 1--     -0.3696                 0.9125                -0.0211
 Gamma2 Fr= 1--      0.5565                 4.0168                -0.6032
 Delta2 Fr= 1--      2.6682                 1.2836                 2.9757
 Raman1 Fr= 1--     220.765               1474.772                245.976
 ROA1   Fr= 1--     138.807                426.689                 37.319
 CID1   Fr= 1--       0.629                  0.289                  0.152
 Raman2 Fr= 1--      31.229                 33.178                105.198
 ROA2   Fr= 1--      -7.990                 86.134                -38.281
 CID2   Fr= 1--      -0.256                  2.596                 -0.364
 Raman3 Fr= 1--      62.458                 66.356                210.395
 ROA3   Fr= 1--     138.807                426.689                 37.319
 CID3   Fr= 1--       2.222                  6.430                  0.177
 RC180  Fr= 1--      -0.434                 -0.910                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.02     0.00  -0.00   0.02    -0.02  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     3   6    -0.01   0.02  -0.06    -0.00   0.02  -0.05    -0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     6   6     0.01  -0.01   0.01    -0.02   0.02  -0.01     0.05   0.01  -0.07
     7   7    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     8   8    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     9   1     0.06  -0.24   0.70     0.05  -0.20   0.59     0.00  -0.01   0.04
    10   1     0.02   0.03   0.02     0.03   0.05   0.03     0.01   0.01   0.01
    11   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    12   1    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    13   1     0.01   0.00  -0.01     0.01   0.00  -0.01     0.00   0.00  -0.00
    14   1    -0.24  -0.02   0.10     0.40   0.04  -0.16    -0.64  -0.06   0.23
    15   1     0.09   0.14   0.08    -0.14  -0.23  -0.13     0.01   0.00  -0.02
    16   1    -0.01   0.05  -0.31     0.02  -0.07   0.40     0.04  -0.12   0.68
    17   1    -0.26  -0.03   0.09     0.18   0.02  -0.06     0.18   0.02  -0.06
    18   1     0.14  -0.23   0.05    -0.11   0.19  -0.04     0.03  -0.06   0.01
    19   1     0.13   0.23   0.15    -0.11  -0.20  -0.13     0.05   0.09   0.06
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3100.1793              3102.5399              3121.1505
 Red. masses --      1.1018                 1.1017                 1.1004
 Frc consts  --      6.2391                 6.2482                 6.3157
 IR Inten    --     25.0747                28.2507                13.4000
 RamAct Fr= 1--     59.9091                71.8973                37.6059
  Dep-P Fr= 1--      0.5671                 0.7441                 0.7487
  Dep-U Fr= 1--      0.7238                 0.8533                 0.8563
 Alpha2 Fr= 1--      0.2072                 0.0072                 0.0008
 Beta2  Fr= 1--      7.2266                10.2248                 5.3668
 AlphaG Fr= 1--      0.0982                -0.0261                -0.0151
 Gamma2 Fr= 1--    -13.1919                 7.0703                 5.4049
 Delta2 Fr= 1--     -8.3656                 2.1647                 1.6125
 Raman1 Fr= 1--     239.637                287.589                150.424
 ROA1   Fr= 1--   -1534.123                748.023                570.471
 CID1   Fr= 1--      -6.402                  2.601                  3.792
 Raman2 Fr= 1--      86.720                122.697                 64.402
 ROA2   Fr= 1--    -249.681                152.370                116.817
 CID2   Fr= 1--      -2.879                  1.242                  1.814
 Raman3 Fr= 1--     173.439                245.395                128.804
 ROA3   Fr= 1--   -1534.123                748.023                570.471
 CID3   Fr= 1--      -8.845                  3.048                  4.429
 RC180  Fr= 1--       0.448                  0.707                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.07  -0.01     0.07  -0.06  -0.01    -0.01  -0.01  -0.00
     2   6    -0.00  -0.01  -0.00     0.00  -0.00  -0.00    -0.00  -0.01  -0.00
     3   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     5   8    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00   0.02     0.01   0.00  -0.01    -0.06  -0.05  -0.05
     7   7     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     8   8     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     9   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.01
    10   1     0.04   0.06   0.04     0.01   0.02   0.01     0.04   0.06   0.04
    11   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    12   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    13   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   1     0.10   0.01  -0.03    -0.10  -0.01   0.04     0.29   0.02  -0.12
    15   1    -0.05  -0.08  -0.04     0.01   0.01   0.00     0.39   0.70   0.39
    16   1    -0.01   0.03  -0.15     0.01  -0.02   0.09     0.00  -0.06   0.28
    17   1     0.54   0.05  -0.20    -0.53  -0.08   0.19     0.05   0.01  -0.02
    18   1    -0.15   0.21  -0.05    -0.39   0.66  -0.15    -0.01   0.02  -0.00
    19   1     0.31   0.54   0.38     0.10   0.14   0.10     0.03   0.05   0.04
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3452.1046              3504.7337              3580.0060
 Red. masses --      1.0640                 1.0494                 1.0947
 Frc consts  --      7.4706                 7.5943                 8.2665
 IR Inten    --    218.2757                 1.5194                 8.5171
 RamAct Fr= 1--     81.1381               155.8623                65.0459
  Dep-P Fr= 1--      0.0832                 0.1035                 0.7499
  Dep-U Fr= 1--      0.1537                 0.1876                 0.8571
 Alpha2 Fr= 1--      1.4798                 2.7055                 0.0001
 Beta2  Fr= 1--      2.0780                 4.8738                 9.2918
 AlphaG Fr= 1--     -0.0808                -0.4160                -0.0082
 Gamma2 Fr= 1--     -1.7299                 4.1992               -11.5519
 Delta2 Fr= 1--     -1.8193                 3.9322                -0.3317
 Raman1 Fr= 1--     324.552                623.449                260.184
 ROA1   Fr= 1--    -224.290                528.951              -1119.595
 CID1   Fr= 1--      -0.691                  0.848                 -4.303
 Raman2 Fr= 1--      24.936                 58.486                111.501
 ROA2   Fr= 1--     -26.964                 69.322               -274.591
 CID2   Fr= 1--      -1.081                  1.185                 -2.463
 Raman3 Fr= 1--      49.872                116.972                223.003
 ROA3   Fr= 1--    -224.290                528.951              -1119.595
 CID3   Fr= 1--      -4.497                  4.522                 -5.021
 RC180  Fr= 1--      -0.693                 -0.625                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     4   6     0.00  -0.01   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   8    -0.01  -0.06  -0.01     0.00   0.01   0.00    -0.00  -0.00  -0.00
     6   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     7   7    -0.00  -0.01  -0.00     0.00  -0.04  -0.04     0.07   0.03  -0.04
     8   8    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     9   1     0.00  -0.01   0.00    -0.00   0.00   0.01     0.00  -0.00   0.01
    10   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    11   1     0.06   0.98   0.07    -0.01  -0.13  -0.01     0.00   0.02   0.00
    12   1     0.08   0.08   0.00     0.48   0.49  -0.02    -0.49  -0.52  -0.01
    13   1    -0.05   0.01   0.06    -0.47   0.09   0.53    -0.43   0.10   0.53
    14   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    15   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    16   1     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    17   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    18   1     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    19   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  7 and mass  14.00307
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   117.07898 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   730.288281009.065421258.98002
           X            0.99614  -0.08532  -0.02041
           Y            0.08517   0.99633  -0.00820
           Z            0.02103   0.00643   0.99976
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.11860     0.08584     0.06880
 Rotational constants (GHZ):           2.47127     1.78853     1.43349
 Zero-point vibrational energy     432973.5 (Joules/Mol)
                                  103.48316 (Kcal/Mol)
 Warning -- explicit consideration of  12 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     93.75   144.41   267.13   330.50   364.23
          (Kelvin)            374.53   406.68   486.60   507.85   621.37
                              674.28   781.20   946.39  1067.82  1157.20
                             1214.51  1248.26  1324.26  1352.60  1369.38
                             1405.45  1552.69  1574.87  1621.80  1713.31
                             1741.80  1798.97  1876.32  1933.73  1975.37
                             1987.34  2031.20  2033.94  2063.91  2144.92
                             2150.84  2169.12  2178.30  2382.79  2639.46
                             4295.99  4368.61  4370.65  4375.96  4454.08
                             4460.47  4463.86  4490.64  4966.81  5042.53
                             5150.83
 
 Zero-point correction=                           0.164911 (Hartree/Particle)
 Thermal correction to Energy=                    0.174047
 Thermal correction to Enthalpy=                  0.174992
 Thermal correction to Gibbs Free Energy=         0.131312
 Sum of electronic and zero-point Energies=           -402.406573
 Sum of electronic and thermal Energies=              -402.397437
 Sum of electronic and thermal Enthalpies=            -402.396493
 Sum of electronic and thermal Free Energies=         -402.440172
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  109.216             33.566             91.932
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.188
 Rotational               0.889              2.981             28.319
 Vibrational            107.439             27.604             23.425
 Vibration     1          0.597              1.971              4.295
 Vibration     2          0.604              1.949              3.447
 Vibration     3          0.632              1.859              2.271
 Vibration     4          0.652              1.796              1.881
 Vibration     5          0.664              1.757              1.709
 Vibration     6          0.668              1.745              1.660
 Vibration     7          0.682              1.706              1.518
 Vibration     8          0.719              1.599              1.221
 Vibration     9          0.729              1.569              1.153
 Vibration    10          0.793              1.401              0.853
 Vibration    11          0.826              1.320              0.741
 Vibration    12          0.898              1.155              0.559
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.398859D-60        -60.399180       -139.074252
 Total V=0       0.284778D+16         15.454506         35.585316
 Vib (Bot)       0.232319D-73        -73.633914       -169.548354
 Vib (Bot)    1  0.316736D+01          0.500697          1.152898
 Vib (Bot)    2  0.204462D+01          0.310613          0.715213
 Vib (Bot)    3  0.107964D+01          0.033280          0.076629
 Vib (Bot)    4  0.857535D+00         -0.066748         -0.153694
 Vib (Bot)    5  0.769812D+00         -0.113615         -0.261609
 Vib (Bot)    6  0.746030D+00         -0.127244         -0.292989
 Vib (Bot)    7  0.679230D+00         -0.167983         -0.386796
 Vib (Bot)    8  0.549654D+00         -0.259911         -0.598466
 Vib (Bot)    9  0.521690D+00         -0.282588         -0.650682
 Vib (Bot)   10  0.402853D+00         -0.394853         -0.909183
 Vib (Bot)   11  0.360329D+00         -0.443301         -1.020739
 Vib (Bot)   12  0.290981D+00         -0.536136         -1.234499
 Vib (V=0)       0.165872D+03          2.219772          5.111215
 Vib (V=0)    1  0.370658D+01          0.568973          1.310110
 Vib (V=0)    2  0.260487D+01          0.415786          0.957383
 Vib (V=0)    3  0.168980D+01          0.227835          0.524611
 Vib (V=0)    4  0.149266D+01          0.173960          0.400557
 Vib (V=0)    5  0.141794D+01          0.151657          0.349204
 Vib (V=0)    6  0.139809D+01          0.145534          0.335105
 Vib (V=0)    7  0.134342D+01          0.128211          0.295217
 Vib (V=0)    8  0.124305D+01          0.094488          0.217566
 Vib (V=0)    9  0.122261D+01          0.087287          0.200985
 Vib (V=0)   10  0.114210D+01          0.057704          0.132867
 Vib (V=0)   11  0.111631D+01          0.047784          0.110028
 Vib (V=0)   12  0.107851D+01          0.032823          0.075577
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.497935D+08          7.697172         17.723394
 Rotational      0.344796D+06          5.537562         12.750707
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3  3 3        3333333 2                                       1      1 11111111111 111 111                                      
     5  5 4        1110000 9                                       8      6 55444443333 221 100  9999 888 7  6   5  44 332222 1  1   
     8  0 5        2009433 8                                       3      5 10993118740 519 297  7542 640 4  5   4  63 538653 8  06  
     0  5 2        1306186 6                                       5      6 48514421344 011 759  7200 844 2  8   3  92 383030 6  05  
 
     X  X X        XXXXXXX X                                       X      X XXXXXXXXXXX XXX XXX  XXXX XXX X  X   X  XX XXXXXX X  XX  
          X         XXX    X                                       X      X      XXX      X        XX X X                            
          X                                                        X      X      XXX                X X                              
          X                                                        X             XXX                X X                              
          X                                                        X             XX                 X X                              
          X                                                        X             XX                                                  
          X                                                        X             XX                                                  
          X                                                        X             XX                                                  
          X                                                        X             XX                                                  
          X                                                        X              X                                                  
          X                                                        X              X                                                  
          X                                                        X              X                                                  
          X                                                        X              X                                                  
          X                                                        X                                                                 
          X                                                        X                                                                 
                                                                   X                                                                 
                                                                   X                                                                 
                                                                   X                                                                 
                                                                   X                                                                 
                                                                   X                                                                 
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000001652   -0.000000477   -0.000001729
      2        6           0.000003500    0.000002749    0.000003534
      3        6          -0.000007881    0.000011348    0.000002724
      4        6           0.000001928   -0.000003206    0.000000115
      5        8           0.000001125    0.000002898    0.000001454
      6        6           0.000000644   -0.000001155    0.000002439
      7        7           0.000004675   -0.000012241    0.000000111
      8        8          -0.000000846    0.000001242   -0.000002553
      9        1           0.000000887   -0.000001392    0.000000008
     10        1          -0.000002425    0.000000412   -0.000000514
     11        1          -0.000003324   -0.000003229   -0.000003216
     12        1          -0.000000842   -0.000000148   -0.000000524
     13        1           0.000001607   -0.000000222   -0.000000451
     14        1           0.000000510    0.000001430    0.000000271
     15        1           0.000000581   -0.000000337   -0.000000527
     16        1           0.000000614   -0.000000673    0.000000067
     17        1          -0.000000132    0.000001585    0.000000049
     18        1           0.000000382    0.000001853   -0.000000722
     19        1           0.000000649   -0.000000438   -0.000000534
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000012241 RMS     0.000002981
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.826719D+02 -0.276693D+01  0.215331D+01
      2  -0.276693D+01  0.849290D+02 -0.118497D+01
      3   0.215331D+01 -0.118497D+01  0.746422D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.198830D+01  0.189084D+01  0.862066D+01
      2   0.122209D+02  0.274012D+01 -0.277213D+02
      3  -0.111595D+02  0.125463D+02 -0.578566D+00
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.779722D+02  0.144206D+02  0.232865D+02
      2   0.435081D+02 -0.116341D+02 -0.163556D+02
      3   0.344641D+02 -0.278645D+01 -0.693087D+01
      4  -0.124383D+02 -0.257874D+02  0.132398D+02
      5   0.160377D+02  0.107019D+02 -0.538210D+02
      6   0.120837D+02 -0.144475D+02 -0.236688D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.546724D+01  0.166808D+01 -0.447579D+01  0.119814D+01 -0.373437D+01
      2   0.166808D+01 -0.374266D+01 -0.674313D+00 -0.373437D+01  0.175294D+01
      3  -0.447579D+01 -0.674313D+00  0.187476D+00 -0.409480D+00 -0.315961D+01
                 6             7             8             9            10 
      1  -0.409480D+00 -0.312529D+01 -0.546904D+00 -0.224934D+00 -0.487659D+01
      2  -0.315961D+01 -0.546904D+00 -0.201928D+01 -0.252897D+01 -0.231706D+00
      3  -0.193480D+01 -0.224934D+00 -0.252897D+01  0.300639D+01  0.344077D+01
                11            12            13            14            15 
      1  -0.231706D+00  0.344077D+01  0.856589D+00  0.502813D+01  0.860865D+00
      2   0.419704D+01  0.919684D+00  0.502813D+01  0.155948D+01  0.336344D+01
      3   0.919684D+00  0.292735D+00  0.860865D+00  0.336344D+01  0.307869D+01
                16            17            18            19            20 
      1   0.492581D+01  0.100912D+01  0.431893D+00  0.437289D+01 -0.179757D+00
      2   0.100912D+01  0.323682D+01  0.407316D+01 -0.179757D+00 -0.246016D+01
      3   0.431893D+00  0.407316D+01 -0.431320D+01 -0.204901D+01 -0.148028D+01
                21            22            23            24            25 
      1  -0.204901D+01  0.350842D+00 -0.330419D+01 -0.113606D+01 -0.253530D+01
      2  -0.148028D+01 -0.330419D+01  0.357191D+00  0.225090D+00 -0.172406D+01
      3   0.502173D+00 -0.113606D+01  0.225090D+00 -0.257691D+01  0.983149D+00
                26            27            28            29            30 
      1  -0.172406D+01  0.983149D+00  0.554060D+00  0.128974D+01  0.217158D-01
      2  -0.996582D+00 -0.369686D+01  0.128974D+01  0.336914D+01  0.149565D+01
      3  -0.369686D+01  0.443318D+01  0.217158D-01  0.149565D+01  0.681880D+00
                31            32            33            34            35 
      1  -0.709268D+00  0.135821D+00  0.115482D+01 -0.939447D+00  0.165434D+01
      2   0.135821D+00 -0.627275D+01  0.113686D+01  0.165434D+01  0.319477D+01
      3   0.115482D+01  0.113686D+01  0.114373D+01 -0.300887D+00  0.179745D+01
                36            37            38            39            40 
      1  -0.300887D+00  0.543286D+01 -0.988844D+00  0.209594D+01  0.506767D+00
      2   0.179745D+01 -0.988844D+00 -0.190440D+00 -0.134673D+00  0.204684D+01
      3  -0.105612D+00  0.209594D+01 -0.134673D+00  0.116041D+01  0.115388D+01
                41            42            43            44            45 
      1   0.204684D+01  0.115388D+01  0.273450D+01 -0.153035D+00  0.232710D+01
      2   0.486786D+01  0.214423D+01 -0.153035D+00  0.443753D-02 -0.687775D+00
      3   0.214423D+01  0.106778D+01  0.232710D+01 -0.687775D+00  0.337788D+01
                46            47            48            49            50 
      1   0.622767D+01  0.302459D+00 -0.308532D+01  0.128240D+01 -0.355194D+01
      2   0.302459D+00 -0.361305D+01 -0.329900D+00 -0.355194D+01 -0.680618D+00
      3  -0.308532D+01 -0.329900D+00  0.221874D+00 -0.612201D+00 -0.204878D+01
                51            52            53            54            55 
      1  -0.612201D+00 -0.391439D+01 -0.312570D+00  0.120889D+01  0.713474D+00
      2  -0.204878D+01 -0.312570D+00 -0.176933D+01 -0.320323D+01  0.999498D+00
      3  -0.210996D+01  0.120889D+01 -0.320323D+01  0.666475D+01  0.206249D+01
                56            57            58            59            60 
      1   0.999498D+00  0.206249D+01  0.459248D+00  0.395737D+01  0.672277D-01
      2   0.415603D+01  0.317693D+00  0.395737D+01  0.976488D+00  0.130478D+01
      3   0.317693D+00 -0.214522D+01  0.672277D-01  0.130478D+01  0.763657D+00
                61            62            63            64            65 
      1   0.305714D+01 -0.102736D+01 -0.276848D+01 -0.130121D+01  0.280562D+01
      2  -0.102736D+01  0.202539D+01  0.111323D+01  0.280562D+01  0.366356D-01
      3  -0.276848D+01  0.111323D+01  0.169336D+01 -0.465429D+00 -0.558303D+00
                66            67            68            69            70 
      1  -0.465429D+00  0.400952D+01  0.130938D+01 -0.158983D+00 -0.273263D+00
      2  -0.558303D+00  0.130938D+01  0.133682D+02 -0.134297D+01 -0.586336D+00
      3  -0.407274D+00 -0.158983D+00 -0.134297D+01  0.180925D+01  0.261456D+00
                71            72            73            74            75 
      1  -0.586336D+00  0.261456D+00 -0.123840D+01  0.478866D+00 -0.848082D+00
      2  -0.105786D+01  0.257520D+01  0.478866D+00 -0.792985D-01  0.188107D+00
      3   0.257520D+01 -0.795677D+00 -0.848082D+00  0.188107D+00 -0.453555D+00
                76            77            78            79            80 
      1   0.693428D+00  0.109595D+00  0.151928D+00 -0.133287D+01  0.616290D+00
      2   0.109595D+00  0.124191D+01 -0.169772D+01  0.616290D+00 -0.205974D+01
      3   0.151928D+00 -0.169772D+01  0.208969D+01 -0.165746D+00  0.204711D+01
                81            82            83            84            85 
      1  -0.165746D+00 -0.234312D+01 -0.166397D+01 -0.169702D+01 -0.261470D+01
      2   0.204711D+01 -0.166397D+01 -0.239890D+01 -0.832388D+00 -0.272471D+01
      3  -0.798232D+01 -0.169702D+01 -0.832388D+00 -0.134078D+01 -0.886484D+00
                86            87            88            89            90 
      1  -0.272471D+01 -0.886484D+00 -0.243768D+01 -0.901735D+00 -0.131000D+01
      2  -0.528430D+01 -0.224957D+01 -0.901735D+00 -0.256847D+01 -0.224729D+01
      3  -0.224957D+01 -0.227871D+01 -0.131000D+01 -0.224729D+01 -0.192482D+01
                91            92            93            94            95 
      1   0.140003D+01 -0.970126D+00  0.137240D+00 -0.259170D+01 -0.178077D+00
      2  -0.970126D+00 -0.283761D-01 -0.647673D+00 -0.178077D+00 -0.567264D+01
      3   0.137240D+00 -0.647673D+00  0.209439D+00 -0.185122D+01 -0.701683D+00
                96            97            98            99           100 
      1  -0.185122D+01  0.163067D+00 -0.736368D+00  0.135730D+00 -0.239096D+01
      2  -0.701683D+00 -0.736368D+00 -0.229378D+00 -0.105603D+01 -0.208154D+01
      3  -0.248029D+01  0.135730D+00 -0.105603D+01  0.960335D+00 -0.365818D-01
               101           102           103           104           105 
      1  -0.208154D+01 -0.365818D-01 -0.233925D+01 -0.231371D+01 -0.375140D+00
      2  -0.486591D+01 -0.899389D+00 -0.231371D+01 -0.763576D+01 -0.156088D+01
      3  -0.899389D+00 -0.725055D+00 -0.375140D+00 -0.156088D+01 -0.142163D+01
               106           107           108           109           110 
      1   0.310891D+00  0.895054D-01  0.155749D+00  0.380761D+01 -0.187163D+01
      2   0.895054D-01 -0.341284D+00 -0.652408D+00 -0.187163D+01  0.198088D+01
      3   0.155749D+00 -0.652408D+00 -0.202218D+00 -0.254555D+01  0.148720D+01
               111           112           113           114           115 
      1  -0.254555D+01 -0.733364D+00  0.108927D+01  0.629057D+00 -0.334452D+01
      2   0.148720D+01  0.108927D+01 -0.163158D+01 -0.122230D+01  0.165098D+01
      3   0.343930D+01  0.629057D+00 -0.122230D+01 -0.106081D+01  0.319229D+01
               116           117           118           119           120 
      1   0.165098D+01  0.319229D+01 -0.104210D+02  0.149607D+01  0.167886D+01
      2  -0.218853D+01 -0.230153D+01  0.149607D+01 -0.113845D+01 -0.866448D-02
      3  -0.230153D+01 -0.390257D+01  0.167886D+01 -0.866448D-02 -0.151964D+01
               121           122           123           124           125 
      1  -0.692512D+00 -0.711247D+00  0.774945D-01  0.307040D+01 -0.537539D+00
      2  -0.711247D+00  0.200929D+00  0.480672D+00 -0.537539D+00  0.809215D+00
      3   0.774945D-01  0.480672D+00 -0.810033D-01 -0.164930D+01  0.413432D+00
               126           127           128           129           130 
      1  -0.164930D+01  0.137786D+01  0.703626D+00  0.779688D+00  0.164709D+01
      2   0.413432D+00  0.703626D+00  0.197391D+01  0.433142D+00  0.639576D+00
      3   0.462189D+00  0.779688D+00  0.433142D+00  0.782276D+00  0.419698D+00
               131           132           133           134           135 
      1   0.639576D+00  0.419698D+00  0.128472D+01  0.974179D-01  0.175471D+00
      2   0.535430D+01  0.131141D+01  0.974179D-01  0.233293D+01  0.158425D+01
      3   0.131141D+01  0.164445D+01  0.175471D+00  0.158425D+01  0.694600D+00
               136           137           138           139           140 
      1  -0.114255D+01  0.371288D+00 -0.899815D+00  0.136210D+00 -0.136570D+00
      2   0.371288D+00  0.188120D+00  0.155792D+00 -0.136570D+00  0.127054D+01
      3  -0.899815D+00  0.155792D+00 -0.574418D+00  0.365717D+00 -0.125068D+01
               141           142           143           144           145 
      1   0.365717D+00 -0.176394D+01  0.902373D+00 -0.170840D+01 -0.789890D+01
      2  -0.125068D+01  0.902373D+00 -0.202526D+01  0.261706D+01 -0.125243D+01
      3   0.143291D+01 -0.170840D+01  0.261706D+01 -0.851446D+01  0.383798D+01
               146           147           148           149           150 
      1  -0.125243D+01  0.383798D+01 -0.943002D+00 -0.797374D+00  0.447485D+00
      2  -0.104873D+01  0.830241D+00 -0.797374D+00 -0.809951D+00  0.940789D+00
      3   0.830241D+00 -0.329461D+01  0.447485D+00  0.940789D+00 -0.155469D+00
               151           152           153           154           155 
      1   0.234430D+01  0.419044D+00 -0.214250D+01  0.123112D+01 -0.163162D+01
      2   0.419044D+00  0.601836D+00 -0.250111D+00 -0.163162D+01  0.229513D+01
      3  -0.214250D+01 -0.250111D+00  0.204495D+01  0.909441D+00 -0.814855D+00
               156           157           158           159           160 
      1   0.909441D+00 -0.189888D+01  0.194164D+01 -0.332419D+00  0.645668D+00
      2  -0.814855D+00  0.194164D+01 -0.570821D+01  0.236593D+01 -0.391143D+00
      3   0.140823D+01 -0.332419D+00  0.236593D+01 -0.220556D+01  0.696795D+00
               161           162           163           164           165 
      1  -0.391143D+00  0.696795D+00  0.102786D+01  0.756371D+00  0.113849D+01
      2   0.139756D+01 -0.115689D+01  0.756371D+00  0.136911D+01  0.552932D+00
      3  -0.115689D+01  0.110992D+01  0.113849D+01  0.552932D+00  0.157476D+01
               166           167           168           169           170 
      1   0.138245D+01  0.119456D+01  0.433812D+00  0.113022D+01  0.477975D+00
      2   0.119456D+01  0.274599D+01  0.196098D+01  0.477975D+00  0.165277D+01
      3   0.433812D+00  0.196098D+01  0.327498D+01  0.701725D+00  0.156018D+01
               171 
      1   0.701725D+00
      2   0.156018D+01
      3   0.329332D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.575211D+00 -0.786516D+01 -0.100429D+01 -0.692818D+01  0.230907D+01
      2  -0.240465D+01 -0.300620D+01  0.115983D+02 -0.221807D+01  0.115234D+02
      3  -0.203134D+01 -0.894886D+01  0.252701D+01 -0.474574D+01  0.516314D+01
                 6             7             8             9            10 
      1  -0.109167D+02 -0.107782D+01 -0.441261D+01 -0.347802D+00  0.199942D+01
      2   0.375362D+01  0.459581D+01  0.445442D+01 -0.463385D+01 -0.865647D+01
      3  -0.419831D+01  0.155593D+01 -0.237351D+01 -0.352164D+01  0.195834D+01
                11            12            13            14            15 
      1  -0.817352D-01 -0.446173D-01 -0.106556D+00  0.324021D+00 -0.323686D+01
      2  -0.244224D+01  0.372165D+01  0.189641D+01 -0.252472D+01 -0.339464D+01
      3   0.429398D+01  0.207846D+01  0.976054D+01 -0.167202D+01  0.382803D+01
                16            17            18            19            20 
      1  -0.146466D+01  0.198015D+01 -0.191558D+01 -0.235073D+01  0.158993D+01
      2  -0.101815D+01 -0.275163D+01  0.603882D+01  0.155332D+01  0.650560D+00
      3  -0.166337D+01  0.268989D+01  0.458184D+01 -0.737981D+00 -0.355518D+01
                21            22            23            24            25 
      1  -0.134464D+01  0.493101D+01 -0.868461D+00  0.141171D+01  0.320125D+01
      2  -0.159392D+01 -0.476130D+00 -0.258248D+01  0.269573D+01 -0.763540D+01
      3   0.958885D-01  0.327249D+01  0.125772D-01 -0.315635D+01  0.142143D+01
                26            27            28            29            30 
      1   0.407801D+01  0.308032D+01 -0.119489D+01 -0.485304D+01  0.645918D+00
      2  -0.195580D+01  0.308775D+01  0.126467D+02  0.469897D+01  0.278701D+01
      3  -0.338134D+00  0.379459D+00 -0.377530D+01 -0.840270D+01 -0.318073D+01
                31            32            33            34            35 
      1  -0.369867D+01  0.641814D+00  0.680311D+01  0.304923D+01  0.674753D+01
      2  -0.767793D+00  0.136873D+01 -0.300900D+00 -0.995138D+01 -0.226943D+01
      3  -0.600171D+01  0.922355D+01  0.239423D+01 -0.915382D+00  0.339380D+01
                36            37            38            39            40 
      1  -0.132163D+01 -0.103868D+01  0.387468D+01  0.619014D+00  0.286652D+01
      2  -0.956253D+01 -0.177037D+01 -0.155970D+01  0.519152D+01  0.275850D+00
      3  -0.729666D+00  0.257177D+01 -0.652712D+01  0.102555D+01 -0.180856D+01
                41            42            43            44            45 
      1   0.979693D+01  0.329009D+00 -0.126215D+01  0.499658D+01 -0.649554D+00
      2   0.371210D+01  0.324230D+01  0.257243D+01  0.969066D+00  0.920833D+01
      3  -0.156781D+02 -0.647113D+01 -0.164450D+01 -0.522360D+01  0.989780D+00
                46            47            48            49            50 
      1   0.328492D+01  0.287819D+01 -0.404650D+00  0.267254D+01  0.223550D+01
      2   0.108465D+02  0.110362D+01 -0.691884D+00  0.160491D+01  0.276167D+01
      3   0.888677D+01 -0.128107D+02 -0.481402D+01 -0.558132D+01 -0.660998D+01
                51            52            53            54            55 
      1   0.210583D+01 -0.270339D+01  0.763389D+01 -0.799184D+01  0.445223D+01
      2   0.485286D+01 -0.754104D+01  0.755283D+01 -0.146032D+02  0.321545D+01
      3  -0.571190D+01 -0.531827D+01 -0.509282D+01 -0.604386D+01 -0.386349D+01
                56            57            58            59            60 
      1  -0.409548D+01 -0.390285D+01 -0.384461D+01  0.429474D+01 -0.370760D+01
      2  -0.941760D+00  0.190235D+01 -0.946652D+00  0.495389D+01 -0.126173D+01
      3  -0.135716D+02 -0.519568D+01 -0.265077D+01 -0.918882D+01 -0.172274D+01
                61            62            63            64            65 
      1  -0.672204D+01  0.636096D+01  0.346310D+01  0.130834D+01  0.107891D+01
      2  -0.558045D+01  0.162897D+01  0.152732D+01 -0.373202D+01 -0.186246D+01
      3  -0.360930D+01 -0.527054D+00  0.497867D+01 -0.491184D+01  0.319481D-01
                66            67            68            69            70 
      1  -0.809443D+00 -0.115702D+01 -0.150408D+01 -0.128695D+02 -0.102072D+01
      2   0.135135D+01  0.358352D+01 -0.153508D+00  0.216467D+01 -0.119372D+01
      3   0.116001D+01  0.138139D+02 -0.156237D+02  0.154888D+01  0.127175D+01
                71            72            73            74            75 
      1   0.174279D+00  0.445451D+00 -0.561219D+00  0.616481D+00 -0.138976D+00
      2   0.496257D+01  0.135169D+01 -0.134898D+01  0.707711D+00  0.215268D+00
      3  -0.569368D+00 -0.438239D+01  0.243215D+00 -0.518230D+00  0.531976D+00
                76            77            78            79            80 
      1  -0.307941D+00 -0.215715D+01  0.126504D+00 -0.117582D+01  0.503034D+01
      2   0.158883D+01 -0.693962D+00 -0.246509D+00 -0.385588D+01  0.105444D+01
      3   0.192384D+01 -0.245082D-01  0.106111D+01 -0.449836D+00  0.122082D+00
                81            82            83            84            85 
      1  -0.132317D+01 -0.475422D+00  0.701469D+00 -0.135001D+01  0.519530D+00
      2   0.911063D-01  0.824468D+00  0.593899D+00  0.262536D+01 -0.195468D+01
      3  -0.648293D+00 -0.280599D+00 -0.471785D+01 -0.365217D+00  0.153538D+01
                86            87            88            89            90 
      1   0.120357D+01 -0.264240D+01 -0.282124D+00  0.173530D+01 -0.685853D+00
      2   0.115270D+01  0.362082D+01 -0.189283D+01  0.221978D+01  0.205952D+01
      3  -0.657310D+01 -0.300115D+01  0.190965D+01 -0.337250D+01 -0.242861D+01
                91            92            93            94            95 
      1  -0.426537D-01 -0.257029D+01  0.397050D+00 -0.249555D+01 -0.117888D+02
      2   0.213710D+01  0.154835D-01  0.153134D+00 -0.110753D+01 -0.206966D+01
      3   0.189429D+00  0.110739D+01  0.964543D+00  0.287756D+01  0.189161D+02
                96            97            98            99           100 
      1  -0.374631D+01 -0.558588D+00 -0.100919D+01  0.134266D+01  0.106420D+01
      2  -0.542196D+01 -0.757931D+00 -0.279085D+01  0.203513D+00 -0.192152D+01
      3   0.458854D+01  0.607589D+00  0.341652D+01  0.259825D+01  0.976113D+01
               101           102           103           104           105 
      1   0.213177D+01 -0.236175D+01  0.193379D+00  0.269484D+01 -0.337381D+01
      2  -0.897083D+00  0.795794D+00 -0.181491D+01 -0.191337D+01 -0.144766D+00
      3   0.725706D+01  0.625235D+00  0.892521D+01  0.113528D+02  0.283892D+01
               106           107           108           109           110 
      1   0.498329D+00  0.158511D+00  0.662919D+00 -0.383402D+01  0.158537D+01
      2   0.290084D+00  0.220944D-01  0.574317D+00  0.439179D+00  0.797704D+00
      3  -0.106748D+01  0.127883D-01 -0.920148D-01 -0.562228D+01  0.724208D+00
               111           112           113           114           115 
      1   0.734960D+01  0.567548D+00 -0.101689D+01 -0.219650D+01  0.511984D+01
      2   0.373941D+01 -0.666767D-01 -0.304560D+00 -0.107507D+01 -0.589310D+00
      3   0.341248D+01  0.154726D+01  0.307978D+00 -0.196485D+00  0.540000D+01
               116           117           118           119           120 
      1  -0.158033D+01 -0.638330D+01 -0.273161D+01  0.453285D-01  0.211315D+01
      2  -0.152868D+01 -0.320240D+01 -0.863681D+01  0.553545D+00  0.761828D+01
      3  -0.233079D+00 -0.423856D+01 -0.887837D+01 -0.441340D+01  0.224069D+01
               121           122           123           124           125 
      1   0.419095D+00 -0.599641D+00 -0.959401D+00  0.158688D+01  0.266789D+00
      2  -0.114686D+00 -0.166549D+01  0.302978D+00  0.426840D+01 -0.917889D+00
      3  -0.105177D+01 -0.487869D+00  0.132197D+01  0.244007D+01  0.242112D+01
               126           127           128           129           130 
      1  -0.837474D+00 -0.146686D+01 -0.116836D+01 -0.174650D+01 -0.121995D+01
      2  -0.253802D+01 -0.164030D+01 -0.614444D+00 -0.859595D+00 -0.792967D+00
      3  -0.523236D+00  0.660410D+01  0.597782D+01  0.254270D+01  0.762342D+01
               131           132           133           134           135 
      1  -0.381990D+01 -0.485233D+01 -0.429452D+00 -0.163146D+01 -0.210932D+01
      2  -0.270348D+01 -0.305042D+01 -0.147815D+01 -0.299245D+01 -0.128497D+01
      3   0.135475D+02  0.439682D+01  0.288422D+01  0.552071D+01  0.386252D+01
               136           137           138           139           140 
      1   0.629179D+00 -0.433459D+00  0.606579D+00 -0.513397D+00  0.145561D+00
      2   0.123513D+01 -0.553773D+00  0.180379D+01 -0.372808D+00  0.249944D+01
      3  -0.572236D-01  0.159774D+00 -0.814009D-01  0.138682D+01  0.282051D+01
               141           142           143           144           145 
      1  -0.214351D+01  0.753145D+00  0.143402D+01  0.882771D+01  0.113134D+01
      2  -0.322241D+01 -0.802457D+00 -0.456458D+01  0.180397D+02  0.830188D+01
      3  -0.224846D+01 -0.461876D+00 -0.416134D+01  0.467214D+01  0.496852D+01
               146           147           148           149           150 
      1  -0.217615D+01 -0.168943D+01 -0.376654D+00 -0.267721D+00  0.176473D+00
      2   0.453377D+00  0.186204D+01  0.102489D+01 -0.678066D+00 -0.312170D+00
      3  -0.312050D+01 -0.146744D+01  0.666407D+00 -0.730189D+00  0.935901D+00
               151           152           153           154           155 
      1  -0.103105D+01  0.206362D+01  0.120666D+01 -0.231528D+01  0.464996D+01
      2  -0.282484D+01 -0.627080D+00 -0.226493D+00 -0.503948D+01  0.424278D+01
      3  -0.140471D+01  0.133813D+01  0.149068D+01 -0.463608D+01  0.383323D+01
               156           157           158           159           160 
      1   0.132469D+01  0.423093D+01 -0.843590D+01 -0.110414D+01  0.238420D+00
      2  -0.181313D+01  0.516490D+01 -0.735115D+01  0.265932D+01 -0.315112D+01
      3  -0.144558D+01  0.704384D+01 -0.874694D+01  0.278215D+01 -0.133702D+01
               161           162           163           164           165 
      1   0.243324D+01 -0.616523D+00  0.271695D+01  0.409156D+01  0.174116D+01
      2   0.227262D+01 -0.206471D+01 -0.497316D+01 -0.253237D+01 -0.308572D+01
      3   0.178434D+01 -0.241289D+01  0.994133D+00  0.737180D+00 -0.626114D-01
               166           167           168           169           170 
      1   0.317207D+01  0.740483D+01  0.347541D+01  0.189781D+01  0.600393D+01
      2  -0.450642D+01 -0.533147D+01 -0.486174D+01 -0.478992D+01 -0.335408D+01
      3   0.279905D+01  0.260667D+01  0.208614D+01  0.381104D+00  0.119201D+01
               171 
      1   0.456135D+01
      2  -0.514208D+01
      3   0.146781D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.145080D+02 -0.865229D+01  0.192070D+02 -0.781399D+01  0.198952D+02
      2   0.141036D+02  0.128850D+02 -0.966953D+01  0.115775D+02 -0.944690D+01
      3   0.404480D+00 -0.423276D+01 -0.953749D+01 -0.376348D+01 -0.104483D+02
      4  -0.119168D+02  0.573306D+01  0.762942D+01  0.711767D+01  0.125589D+01
      5   0.268729D+02  0.543632D+01 -0.124657D+02  0.333886D+01 -0.114942D+01
      6   0.918330D+01 -0.982785D+01 -0.367704D+01 -0.892346D+01  0.623120D+01
                 6             7             8             9            10 
      1   0.459683D+01  0.131739D+02  0.426105D+01 -0.786973D+01  0.112513D+02
      2   0.921828D+01 -0.643550D+01  0.699764D+01 -0.175622D+01 -0.135781D+02
      3  -0.138151D+02 -0.673844D+01 -0.112587D+02  0.962595D+01  0.232681D+01
      4   0.614499D+01  0.620267D+01  0.405395D+01  0.600810D+01 -0.480215D+01
      5   0.137556D+01 -0.983624D+01  0.401306D+01 -0.599582D+01 -0.132296D+02
      6  -0.756695D+01 -0.199901D+01 -0.564645D+01 -0.841692D+01 -0.605446D+01
                11            12            13            14            15 
      1  -0.136228D+00 -0.106391D+02  0.487116D+01 -0.116990D+02 -0.212751D+01
      2  -0.473668D+00  0.413769D+01 -0.364824D+01 -0.898088D+00 -0.453800D+01
      3   0.609896D+00  0.650142D+01 -0.122292D+01  0.125970D+02  0.666550D+01
      4  -0.168808D+02 -0.564507D+01 -0.166942D+02 -0.875919D+01 -0.124735D+02
      5  -0.330220D+01 -0.105044D+01 -0.399023D+00 -0.142122D+02 -0.765999D+01
      6  -0.550850D+01 -0.356505D+00 -0.615269D+01 -0.511510D+01 -0.314560D+01
                16            17            18            19            20 
      1  -0.113375D+02 -0.128672D+01  0.334719D+01 -0.833956D+01 -0.825026D+01
      2   0.415827D+01 -0.216353D+01 -0.232683D+01  0.867640D+01  0.106481D+02
      3   0.717925D+01  0.345024D+01 -0.102036D+01 -0.336845D+00 -0.239784D+01
      4  -0.263557D+01 -0.947879D+01 -0.123262D+02  0.677812D+01  0.182396D+00
      5  -0.269816D+01 -0.114841D+02  0.994208D+01  0.179852D+01 -0.129956D+01
      6  -0.250362D+01 -0.601920D+01  0.183484D+00  0.485519D+01  0.627616D+01
                21            22            23            24            25 
      1  -0.369887D+00 -0.442014D+01  0.348338D+01 -0.379324D+01  0.498734D+01
      2   0.382845D+00  0.527526D+01  0.463874D+00 -0.479011D+01  0.127418D+01
      3  -0.129583D-01 -0.855120D+00 -0.394726D+01  0.858335D+01 -0.626152D+01
      4   0.824649D+00 -0.455928D+01  0.129872D+02  0.103436D+01 -0.116588D+01
      5  -0.213681D+01 -0.151266D+01  0.311769D+01  0.583200D+01  0.313318D+01
      6   0.456797D+01  0.110659D+01  0.742671D+00 -0.883685D+01 -0.452387D+00
                26            27            28            29            30 
      1  -0.813410D+01  0.779388D+01 -0.539874D+01  0.405816D+01 -0.788113D+00
      2   0.604867D-01  0.147950D+02  0.191571D+01 -0.482662D+01  0.733463D+01
      3   0.807362D+01 -0.225889D+02  0.348303D+01  0.768456D+00 -0.654651D+01
      4   0.525782D+01 -0.307199D+01  0.393391D+01  0.360983D+01  0.224492D+01
      5  -0.987403D+00 -0.182506D+01 -0.758723D+01  0.459498D+01 -0.196058D+01
      6   0.451325D+01  0.704677D+01 -0.160276D+01 -0.348037D+01  0.185199D+01
                31            32            33            34            35 
      1   0.847849D+01  0.188159D+02  0.262676D+01 -0.121947D+02  0.781587D+01
      2  -0.918417D+01 -0.355738D+02 -0.213815D+01  0.970113D+01 -0.390872D+01
      3   0.705684D+00  0.167579D+02 -0.488608D+00  0.249362D+01 -0.390715D+01
      4  -0.159599D+02 -0.207230D+02  0.332876D+01  0.395941D+01 -0.290171D+00
      5   0.738435D+01  0.590852D+01 -0.527727D+00  0.146157D+00  0.220910D+01
      6   0.510020D+00  0.219557D+01 -0.112021D+02 -0.111250D+01  0.375496D+00
                36            37            38            39            40 
      1  -0.137975D+01  0.364446D+02 -0.243603D+01  0.773177D+01  0.248041D+01
      2  -0.222955D+01 -0.243096D+02  0.254559D+01 -0.101356D+02 -0.160161D+01
      3   0.360929D+01 -0.121350D+02 -0.109564D+00  0.240387D+01 -0.878799D+00
      4   0.167938D+01 -0.226473D+01  0.732345D+01 -0.391947D-01  0.133758D+02
      5  -0.873255D+01  0.147326D+02 -0.158032D+01  0.144831D+02  0.230091D+01
      6  -0.166314D+01  0.646896D+00  0.132258D+01 -0.241004D+01  0.448631D+00
                41            42            43            44            45 
      1   0.697115D+01  0.435060D+01  0.116112D+02 -0.150434D+01  0.349679D+01
      2  -0.299878D+01 -0.381269D+01 -0.117579D+02  0.205493D+01 -0.156834D+02
      3  -0.397236D+01 -0.537912D+00  0.146682D+00 -0.550587D+00  0.121866D+02
      4   0.122796D+02  0.620755D+01 -0.276131D+01  0.329972D+01 -0.938855D+00
      5   0.637978D+01  0.316158D+01  0.162435D+02 -0.204855D+01  0.183040D+02
      6  -0.261091D+01  0.502931D+01  0.432762D+00  0.464100D+01  0.141273D+00
                46            47            48            49            50 
      1  -0.409320D+02  0.585588D+01  0.182401D+02 -0.280728D+01  0.169269D+02
      2   0.221783D+02 -0.107747D+02 -0.103795D+02 -0.552397D+01 -0.948051D+01
      3   0.187537D+02  0.491883D+01 -0.786060D+01  0.833126D+01 -0.744635D+01
      4   0.550369D+01  0.133751D+02 -0.232849D+01  0.138223D+02 -0.363406D+01
      5   0.139297D+02  0.224372D+00 -0.170333D+00  0.730425D+00  0.105012D+02
      6  -0.535791D+01  0.160445D+00  0.350353D+00  0.131866D+01 -0.509960D+01
                51            52            53            54            55 
      1   0.324726D+01  0.227098D+02  0.158655D+01  0.383925D+01  0.113722D+02
      2  -0.939550D+01 -0.105108D+02 -0.894069D+01  0.705734D+01 -0.586736D+01
      3   0.614824D+01 -0.121989D+02  0.735414D+01 -0.108966D+02 -0.550483D+01
      4   0.662358D+01 -0.222452D+01  0.484474D+01  0.105257D+02 -0.358926D+01
      5   0.957252D+01 -0.416308D+01  0.116388D+02 -0.280208D+02  0.585368D+01
      6  -0.416904D+01  0.172861D+01 -0.372936D+01  0.128004D+02 -0.890790D+01
                56            57            58            59            60 
      1   0.134534D+02  0.244172D+01  0.956017D+01  0.533793D+01  0.325658D+01
      2  -0.230998D+02 -0.667552D+01 -0.175984D+02 -0.313952D+00 -0.471609D+01
      3   0.964636D+01  0.423380D+01  0.803822D+01 -0.502398D+01  0.145950D+01
      4   0.248055D+01 -0.499883D+01  0.616215D+01 -0.195517D+02  0.284410D+01
      5  -0.358115D+01 -0.134880D+01 -0.271047D+01 -0.187728D+01 -0.371723D+00
      6  -0.300943D+01  0.666038D+01 -0.111120D+01 -0.870919D+01  0.353225D+01
                61            62            63            64            65 
      1  -0.112083D+01  0.318312D+01 -0.456371D+01  0.313559D+01  0.640962D+01
      2  -0.385248D+01 -0.504389D+01 -0.997452D+00  0.470498D+01 -0.218257D+01
      3   0.497331D+01  0.186077D+01  0.556116D+01 -0.784057D+01 -0.422705D+01
      4  -0.638688D+01  0.506552D+01  0.112131D+02  0.630260D+01  0.153599D+02
      5  -0.736364D+01  0.592680D+01  0.100052D+02 -0.122511D+01 -0.253146D+01
      6   0.129129D+02 -0.376140D+01 -0.635049D+01 -0.982034D+00 -0.153736D+01
                66            67            68            69            70 
      1   0.622663D+00  0.198418D+01 -0.359544D+02  0.115144D+01  0.562334D+00
      2  -0.144179D+01  0.354738D+01  0.667446D+02 -0.113134D+01 -0.207144D+01
      3   0.819130D+00 -0.553155D+01 -0.307902D+02 -0.201059D-01  0.150911D+01
      4  -0.201417D+01  0.226434D+02  0.342970D+02 -0.343937D+01 -0.199060D+01
      5   0.404465D+01 -0.220470D+01 -0.704925D+01  0.687778D+01  0.428691D+01
      6   0.787387D+00 -0.192053D+01 -0.291781D+01  0.186228D+02  0.204252D+01
                71            72            73            74            75 
      1  -0.569720D+00 -0.722860D+01  0.645321D+00  0.450200D+00 -0.652900D+00
      2  -0.100126D+01  0.640250D+01 -0.502832D+01 -0.537450D-02 -0.832311D+00
      3   0.157098D+01  0.826104D+00  0.438300D+01 -0.444825D+00  0.148521D+01
      4  -0.217729D+01  0.660133D+01 -0.144755D+00  0.152429D+01 -0.101771D+01
      5   0.738025D+01 -0.228709D+01  0.874382D+00 -0.187250D+01  0.681074D+01
      6   0.152834D+02 -0.199669D+01 -0.233308D+01 -0.769152D-01 -0.125134D+00
                76            77            78            79            80 
      1   0.380696D+00 -0.429869D+01  0.490871D+01 -0.459828D+00  0.379785D+01
      2   0.748565D+00 -0.137800D+01  0.415749D+01 -0.220012D+01  0.571792D+01
      3  -0.112926D+01  0.567669D+01 -0.906620D+01  0.265995D+01 -0.951577D+01
      4   0.226080D+01  0.441734D+00  0.185457D-01 -0.780038D-01 -0.243140D+01
      5  -0.112051D+01  0.300254D+00 -0.418632D+00  0.495053D+01  0.170925D+00
      6   0.106832D+01 -0.462591D+01  0.888999D+01 -0.126684D+01  0.619755D+01
                81            82            83            84            85 
      1  -0.187817D+02  0.105042D+02  0.549453D+01  0.538603D+01  0.427090D+01
      2  -0.197322D+02 -0.260955D+01 -0.672081D+00 -0.199780D+01  0.188165D+01
      3   0.385139D+02 -0.789467D+01 -0.482245D+01 -0.338823D+01 -0.615255D+01
      4   0.101197D+01  0.128990D+02  0.149234D+02  0.629623D+01  0.155407D+02
      5  -0.256560D-01  0.876770D+01  0.547904D+01  0.812784D+01  0.555318D+01
      6  -0.696288D+01  0.452134D+01  0.399007D+01  0.370106D+01  0.483318D+01
                86            87            88            89            90 
      1  -0.681031D+00  0.362112D+00  0.426680D+01 -0.122330D+01 -0.714251D+00
      2   0.114369D+02  0.384904D+01 -0.231970D+01  0.210791D+01 -0.136694D+01
      3  -0.107559D+02 -0.421115D+01 -0.194710D+01 -0.884605D+00  0.208119D+01
      4   0.219428D+02  0.948300D+01  0.577321D+01  0.941279D+01  0.933712D+01
      5   0.885236D+01  0.799412D+01  0.876937D+01  0.856450D+01  0.854845D+01
      6   0.107996D+02  0.877708D+01  0.438414D+01  0.988380D+01  0.815094D+01
                91            92            93            94            95 
      1   0.360743D+01 -0.368137D+01  0.465968D+00 -0.114806D+02 -0.358073D+01
      2  -0.549814D+00  0.946182D+00  0.178757D+01  0.718054D+01  0.322877D+01
      3  -0.305761D+01  0.273519D+01 -0.225354D+01  0.430009D+01  0.351956D+00
      4  -0.600732D+01  0.176431D+01 -0.238417D+01  0.122041D+01 -0.173158D+02
      5  -0.145703D+00 -0.234484D+01  0.616617D-02 -0.774421D+01 -0.115472D+01
      6  -0.102917D+01  0.207560D+01 -0.146768D+01  0.351137D+01 -0.154369D+01
                96            97            98            99           100 
      1  -0.545539D+01 -0.255877D+01 -0.894171D+00 -0.149552D+01 -0.554519D+01
      2   0.633270D+01  0.208724D+01  0.184252D+00  0.154216D+01  0.964526D+01
      3  -0.877314D+00  0.471538D+00  0.709919D+00 -0.466463D-01 -0.410007D+01
      4   0.511345D-01 -0.364547D+01  0.434256D+00 -0.360908D+01  0.820270D+01
      5  -0.860670D+01  0.100568D+01 -0.340604D+01  0.132627D+01  0.346696D+01
      6   0.305299D+01 -0.310719D+00  0.324875D+01 -0.357513D+01  0.266077D+01
               101           102           103           104           105 
      1  -0.139090D+02 -0.282471D+01 -0.888599D+01 -0.237790D+02 -0.557069D+01
      2   0.210348D+02  0.218254D+01  0.123716D+02  0.356093D+02  0.513147D+01
      3  -0.712576D+01  0.642173D+00 -0.348562D+01 -0.118302D+02  0.439215D+00
      4   0.827282D+01  0.291931D+00  0.801478D+01  0.593477D+01  0.153243D+00
      5   0.250463D+01  0.712588D+00  0.292327D+01  0.195641D+01 -0.694888D+00
      6   0.893311D+01  0.417513D+01  0.446261D+01  0.147455D+02  0.844562D+01
               106           107           108           109           110 
      1   0.132670D+01 -0.130955D+01 -0.135355D+01  0.417276D+01  0.167496D+01
      2  -0.678377D+00  0.956093D+00  0.108337D+01 -0.471374D+01 -0.194155D+01
      3  -0.648327D+00  0.353462D+00  0.270179D+00  0.540984D+00  0.266588D+00
      4  -0.248846D+00 -0.415267D+00  0.191968D+00 -0.131997D+02  0.914690D+01
      5   0.250832D+01  0.190797D+00  0.534762D+00 -0.145033D+02  0.772845D+01
      6  -0.350592D+00  0.494527D+01  0.163068D+01  0.117822D+02 -0.960848D+01
               111           112           113           114           115 
      1   0.350070D+00  0.132540D+01 -0.436738D+01 -0.318495D+01  0.792166D+00
      2   0.423304D+01 -0.224709D+01  0.499725D+01  0.310366D+01  0.458623D+01
      3  -0.458311D+01  0.921697D+00 -0.629871D+00  0.812893D-01 -0.537839D+01
      4   0.988702D+01  0.622824D+01 -0.569463D+01 -0.468145D+01  0.113013D+02
      5   0.144569D+02  0.293193D+01 -0.479926D+01 -0.354418D+01  0.153655D+02
      6  -0.147859D+02 -0.537217D+01  0.791197D+01  0.890198D+01 -0.136860D+02
               116           117           118           119           120 
      1  -0.533249D+01 -0.462554D+01  0.702606D+02 -0.685037D+01 -0.109189D+02
      2   0.256121D+01 -0.440106D+01 -0.348866D+02  0.154287D+01  0.552079D+01
      3   0.277128D+01  0.902660D+01 -0.353739D+02  0.530750D+01  0.539816D+01
      4  -0.732715D+01 -0.118196D+02 -0.182878D+02  0.107943D+02  0.225048D+01
      5  -0.816968D+01 -0.156602D+02 -0.611960D+01  0.479998D-01  0.106994D+02
      6   0.134717D+02  0.178377D+02  0.313239D+01  0.887480D-01 -0.341263D+01
               121           122           123           124           125 
      1   0.411075D+01  0.445838D+01 -0.860679D+00 -0.182810D+02  0.209999D+01
      2  -0.377123D+01 -0.474266D+00  0.155936D+01  0.963252D+01  0.462338D+00
      3  -0.339516D+00 -0.398411D+01 -0.698678D+00  0.864843D+01 -0.256233D+01
      4   0.813532D+01 -0.138168D+01 -0.282955D+01  0.568630D+01 -0.442173D+01
      5  -0.706979D-01 -0.243368D+01  0.457925D+00  0.109095D+02 -0.197733D+01
      6  -0.469456D+00  0.825409D+00  0.135009D+01 -0.264527D+01  0.168212D+01
               126           127           128           129           130 
      1   0.786430D+01 -0.104383D+01 -0.571343D+01 -0.403646D+01 -0.795552D+01
      2  -0.596398D+01  0.269791D+01  0.696293D+01  0.291965D+01  0.669467D+01
      3  -0.190032D+01 -0.165408D+01 -0.124950D+01  0.111681D+01  0.126086D+01
      4  -0.281078D+01  0.144254D+01 -0.341460D+01  0.588633D+00  0.319538D+01
      5  -0.392367D+01 -0.289102D+01 -0.108738D+01 -0.218502D+01 -0.223638D+01
      6   0.578981D+00  0.176425D+01  0.899197D+00  0.233699D+01  0.840403D+00
               131           132           133           134           135 
      1  -0.153843D+02 -0.493047D+01 -0.619601D+01 -0.451863D+01 -0.542269D+01
      2   0.252383D+02  0.773822D+01  0.318435D+01  0.785799D+01  0.346552D+01
      3  -0.985400D+01 -0.280775D+01  0.301167D+01 -0.333936D+01  0.195717D+01
      4  -0.151379D+02 -0.339911D+01  0.242752D+01 -0.675811D+01 -0.394436D+01
      5  -0.539345D+01 -0.675925D+01  0.358829D+00 -0.554236D+01 -0.144897D+01
      6   0.448824D+01  0.637484D+01  0.591278D+00  0.632044D+01  0.315659D+01
               136           137           138           139           140 
      1   0.594518D+01 -0.210129D+01  0.326386D+01 -0.144073D+00 -0.474165D+01
      2  -0.503871D+01  0.151295D+01 -0.230575D+01  0.367112D+00  0.313582D+01
      3  -0.906470D+00  0.588342D+00 -0.958113D+00 -0.223039D+00  0.160582D+01
      4  -0.307160D+01  0.154124D+01 -0.276392D+01  0.265725D+01 -0.503296D+01
      5   0.477826D+01 -0.222620D+01  0.817927D+01 -0.221683D+01  0.533369D+01
      6  -0.174395D+01  0.848218D+00 -0.164944D+01  0.178034D+01 -0.516472D+01
               141           142           143           144           145 
      1   0.240888D+01  0.566590D+01  0.223216D+01 -0.929467D+01  0.341773D+02
      2  -0.123904D+01 -0.552620D+01  0.372826D-01 -0.138924D+02 -0.236421D+02
      3  -0.116984D+01 -0.139704D+00 -0.226944D+01  0.231870D+02 -0.105352D+02
      4   0.576521D+01 -0.662446D+01  0.896202D+01 -0.971114D+01  0.160250D+02
      5  -0.685061D+01  0.136231D+02 -0.115342D+02  0.378882D+02 -0.350252D+02
      6   0.100414D+02 -0.375908D+01  0.106418D+02 -0.195579D+02 -0.747724D+01
               146           147           148           149           150 
      1   0.338763D+01 -0.103553D+02  0.260605D+01  0.101695D+01 -0.465327D+00
      2  -0.167613D+01  0.135489D+02 -0.991216D+00 -0.707223D-01 -0.580213D+00
      3  -0.171151D+01 -0.319360D+01 -0.161483D+01 -0.946231D+00  0.104554D+01
      4   0.928730D+01 -0.820359D+01  0.815314D+01  0.422206D+01 -0.456095D+01
      5  -0.615274D+01  0.237923D+02 -0.376948D+01 -0.454208D+01  0.212079D+01
      6  -0.529820D+01  0.644846D+01 -0.363268D+01 -0.323526D+01  0.498915D+01
               151           152           153           154           155 
      1  -0.572717D+01 -0.609967D+00  0.398208D+01 -0.399920D+01  0.849370D+01
      2   0.905033D+01  0.409541D+00 -0.985691D+01  0.342502D+01 -0.823794D+01
      3  -0.332315D+01  0.200426D+00  0.587483D+01  0.574179D+00 -0.255757D+00
      4  -0.500223D+01 -0.312744D+01  0.417712D+01 -0.813016D+00  0.860230D+00
      5   0.176160D+02  0.280156D+01 -0.145925D+02  0.106451D+01 -0.289542D+01
      6   0.452573D+01  0.406419D+01 -0.389863D+01 -0.500886D+01  0.875499D+01
               156           157           158           159           160 
      1  -0.696894D+01  0.797995D+01 -0.209623D+02  0.878816D+01 -0.378932D+01
      2   0.180402D+01 -0.797784D+01  0.229992D+02 -0.419159D+01  0.107344D+01
      3   0.516492D+01 -0.211048D-02 -0.203695D+01 -0.459657D+01  0.271588D+01
      4  -0.316541D+00  0.232723D+01  0.685509D+01 -0.417740D+01 -0.871217D+00
      5   0.177978D+01 -0.467634D+01  0.381158D+00  0.241643D+01  0.321770D+01
      6  -0.512664D+01  0.595092D+01 -0.202777D+02  0.132085D+02 -0.369740D+01
               161           162           163           164           165 
      1   0.614725D+01 -0.718695D+01 -0.152076D+01 -0.123708D+01 -0.728379D+01
      2  -0.276769D+01  0.189216D+01 -0.223785D+01 -0.234340D+01 -0.184936D+01
      3  -0.337955D+01  0.529480D+01  0.375861D+01  0.358048D+01  0.913315D+01
      4  -0.140251D+01  0.158020D+00  0.242502D+00 -0.954621D+00 -0.148656D+01
      5  -0.386813D+00  0.537490D+00  0.740984D+00  0.167300D+01  0.286704D+01
      6   0.105967D+02 -0.677355D+01  0.195105D+01  0.499800D+01  0.213131D+01
               166           167           168           169           170 
      1  -0.269586D+01 -0.807661D+01 -0.851911D+01 -0.486657D+01 -0.495087D+01
      2  -0.789756D+00  0.196034D-01 -0.613747D+01 -0.830666D+00 -0.479181D+01
      3   0.348562D+01  0.805700D+01  0.146566D+02  0.569724D+01  0.974268D+01
      4  -0.969446D+00 -0.575223D+01 -0.393981D+01 -0.171546D+01 -0.350095D+01
      5   0.349836D+01 -0.119708D+00 -0.437500D+01  0.459879D+01 -0.126114D+00
      6   0.390445D+01  0.101748D+02  0.834670D+01  0.239857D+01  0.821994D+01
               171 
      1  -0.101683D+02
      2  -0.779260D+01
      3   0.179609D+02
      4  -0.267177D+01
      5  -0.242083D+01
      6   0.648342D+01
 Leave Link  716 at Thu Aug 12 19:53:58 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.826719D+02 -0.276693D+01  0.215331D+01
      2  -0.276693D+01  0.849290D+02 -0.118497D+01
      3   0.215331D+01 -0.118497D+01  0.746422D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.198830D+01  0.189084D+01  0.862066D+01
      2   0.122209D+02  0.274012D+01 -0.277213D+02
      3  -0.111595D+02  0.125463D+02 -0.578566D+00
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.779722D+02  0.144206D+02  0.232865D+02
      2   0.435081D+02 -0.116341D+02 -0.163556D+02
      3   0.344641D+02 -0.278645D+01 -0.693087D+01
      4  -0.124383D+02 -0.257874D+02  0.132398D+02
      5   0.160377D+02  0.107019D+02 -0.538210D+02
      6   0.120837D+02 -0.144475D+02 -0.236688D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.546724D+01  0.166808D+01 -0.447579D+01  0.119814D+01 -0.373437D+01
      2   0.166808D+01 -0.374266D+01 -0.674313D+00 -0.373437D+01  0.175294D+01
      3  -0.447579D+01 -0.674313D+00  0.187476D+00 -0.409480D+00 -0.315961D+01
                 6             7             8             9            10 
      1  -0.409480D+00 -0.312529D+01 -0.546904D+00 -0.224934D+00 -0.487659D+01
      2  -0.315961D+01 -0.546904D+00 -0.201928D+01 -0.252897D+01 -0.231706D+00
      3  -0.193480D+01 -0.224934D+00 -0.252897D+01  0.300639D+01  0.344077D+01
                11            12            13            14            15 
      1  -0.231706D+00  0.344077D+01  0.856589D+00  0.502813D+01  0.860865D+00
      2   0.419704D+01  0.919684D+00  0.502813D+01  0.155948D+01  0.336344D+01
      3   0.919684D+00  0.292735D+00  0.860865D+00  0.336344D+01  0.307869D+01
                16            17            18            19            20 
      1   0.492581D+01  0.100912D+01  0.431893D+00  0.437289D+01 -0.179757D+00
      2   0.100912D+01  0.323682D+01  0.407316D+01 -0.179757D+00 -0.246016D+01
      3   0.431893D+00  0.407316D+01 -0.431320D+01 -0.204901D+01 -0.148028D+01
                21            22            23            24            25 
      1  -0.204901D+01  0.350842D+00 -0.330419D+01 -0.113606D+01 -0.253530D+01
      2  -0.148028D+01 -0.330419D+01  0.357191D+00  0.225090D+00 -0.172406D+01
      3   0.502173D+00 -0.113606D+01  0.225090D+00 -0.257691D+01  0.983149D+00
                26            27            28            29            30 
      1  -0.172406D+01  0.983149D+00  0.554060D+00  0.128974D+01  0.217158D-01
      2  -0.996582D+00 -0.369686D+01  0.128974D+01  0.336914D+01  0.149565D+01
      3  -0.369686D+01  0.443318D+01  0.217158D-01  0.149565D+01  0.681880D+00
                31            32            33            34            35 
      1  -0.709268D+00  0.135821D+00  0.115482D+01 -0.939447D+00  0.165434D+01
      2   0.135821D+00 -0.627275D+01  0.113686D+01  0.165434D+01  0.319477D+01
      3   0.115482D+01  0.113686D+01  0.114373D+01 -0.300887D+00  0.179745D+01
                36            37            38            39            40 
      1  -0.300887D+00  0.543286D+01 -0.988844D+00  0.209594D+01  0.506767D+00
      2   0.179745D+01 -0.988844D+00 -0.190440D+00 -0.134673D+00  0.204684D+01
      3  -0.105612D+00  0.209594D+01 -0.134673D+00  0.116041D+01  0.115388D+01
                41            42            43            44            45 
      1   0.204684D+01  0.115388D+01  0.273450D+01 -0.153035D+00  0.232710D+01
      2   0.486786D+01  0.214423D+01 -0.153035D+00  0.443753D-02 -0.687775D+00
      3   0.214423D+01  0.106778D+01  0.232710D+01 -0.687775D+00  0.337788D+01
                46            47            48            49            50 
      1   0.622767D+01  0.302459D+00 -0.308532D+01  0.128240D+01 -0.355194D+01
      2   0.302459D+00 -0.361305D+01 -0.329900D+00 -0.355194D+01 -0.680618D+00
      3  -0.308532D+01 -0.329900D+00  0.221874D+00 -0.612201D+00 -0.204878D+01
                51            52            53            54            55 
      1  -0.612201D+00 -0.391439D+01 -0.312570D+00  0.120889D+01  0.713474D+00
      2  -0.204878D+01 -0.312570D+00 -0.176933D+01 -0.320323D+01  0.999498D+00
      3  -0.210996D+01  0.120889D+01 -0.320323D+01  0.666475D+01  0.206249D+01
                56            57            58            59            60 
      1   0.999498D+00  0.206249D+01  0.459248D+00  0.395737D+01  0.672277D-01
      2   0.415603D+01  0.317693D+00  0.395737D+01  0.976488D+00  0.130478D+01
      3   0.317693D+00 -0.214522D+01  0.672277D-01  0.130478D+01  0.763657D+00
                61            62            63            64            65 
      1   0.305714D+01 -0.102736D+01 -0.276848D+01 -0.130121D+01  0.280562D+01
      2  -0.102736D+01  0.202539D+01  0.111323D+01  0.280562D+01  0.366356D-01
      3  -0.276848D+01  0.111323D+01  0.169336D+01 -0.465429D+00 -0.558303D+00
                66            67            68            69            70 
      1  -0.465429D+00  0.400952D+01  0.130938D+01 -0.158983D+00 -0.273263D+00
      2  -0.558303D+00  0.130938D+01  0.133682D+02 -0.134297D+01 -0.586336D+00
      3  -0.407274D+00 -0.158983D+00 -0.134297D+01  0.180925D+01  0.261456D+00
                71            72            73            74            75 
      1  -0.586336D+00  0.261456D+00 -0.123840D+01  0.478866D+00 -0.848082D+00
      2  -0.105786D+01  0.257520D+01  0.478866D+00 -0.792985D-01  0.188107D+00
      3   0.257520D+01 -0.795677D+00 -0.848082D+00  0.188107D+00 -0.453555D+00
                76            77            78            79            80 
      1   0.693428D+00  0.109595D+00  0.151928D+00 -0.133287D+01  0.616290D+00
      2   0.109595D+00  0.124191D+01 -0.169772D+01  0.616290D+00 -0.205974D+01
      3   0.151928D+00 -0.169772D+01  0.208969D+01 -0.165746D+00  0.204711D+01
                81            82            83            84            85 
      1  -0.165746D+00 -0.234312D+01 -0.166397D+01 -0.169702D+01 -0.261470D+01
      2   0.204711D+01 -0.166397D+01 -0.239890D+01 -0.832388D+00 -0.272471D+01
      3  -0.798232D+01 -0.169702D+01 -0.832388D+00 -0.134078D+01 -0.886484D+00
                86            87            88            89            90 
      1  -0.272471D+01 -0.886484D+00 -0.243768D+01 -0.901735D+00 -0.131000D+01
      2  -0.528430D+01 -0.224957D+01 -0.901735D+00 -0.256847D+01 -0.224729D+01
      3  -0.224957D+01 -0.227871D+01 -0.131000D+01 -0.224729D+01 -0.192482D+01
                91            92            93            94            95 
      1   0.140003D+01 -0.970126D+00  0.137240D+00 -0.259170D+01 -0.178077D+00
      2  -0.970126D+00 -0.283761D-01 -0.647673D+00 -0.178077D+00 -0.567264D+01
      3   0.137240D+00 -0.647673D+00  0.209439D+00 -0.185122D+01 -0.701683D+00
                96            97            98            99           100 
      1  -0.185122D+01  0.163067D+00 -0.736368D+00  0.135730D+00 -0.239096D+01
      2  -0.701683D+00 -0.736368D+00 -0.229378D+00 -0.105603D+01 -0.208154D+01
      3  -0.248029D+01  0.135730D+00 -0.105603D+01  0.960335D+00 -0.365818D-01
               101           102           103           104           105 
      1  -0.208154D+01 -0.365818D-01 -0.233925D+01 -0.231371D+01 -0.375140D+00
      2  -0.486591D+01 -0.899389D+00 -0.231371D+01 -0.763576D+01 -0.156088D+01
      3  -0.899389D+00 -0.725055D+00 -0.375140D+00 -0.156088D+01 -0.142163D+01
               106           107           108           109           110 
      1   0.310891D+00  0.895054D-01  0.155749D+00  0.380761D+01 -0.187163D+01
      2   0.895054D-01 -0.341284D+00 -0.652408D+00 -0.187163D+01  0.198088D+01
      3   0.155749D+00 -0.652408D+00 -0.202218D+00 -0.254555D+01  0.148720D+01
               111           112           113           114           115 
      1  -0.254555D+01 -0.733364D+00  0.108927D+01  0.629057D+00 -0.334452D+01
      2   0.148720D+01  0.108927D+01 -0.163158D+01 -0.122230D+01  0.165098D+01
      3   0.343930D+01  0.629057D+00 -0.122230D+01 -0.106081D+01  0.319229D+01
               116           117           118           119           120 
      1   0.165098D+01  0.319229D+01 -0.104210D+02  0.149607D+01  0.167886D+01
      2  -0.218853D+01 -0.230153D+01  0.149607D+01 -0.113845D+01 -0.866448D-02
      3  -0.230153D+01 -0.390257D+01  0.167886D+01 -0.866448D-02 -0.151964D+01
               121           122           123           124           125 
      1  -0.692512D+00 -0.711247D+00  0.774945D-01  0.307040D+01 -0.537539D+00
      2  -0.711247D+00  0.200929D+00  0.480672D+00 -0.537539D+00  0.809215D+00
      3   0.774945D-01  0.480672D+00 -0.810033D-01 -0.164930D+01  0.413432D+00
               126           127           128           129           130 
      1  -0.164930D+01  0.137786D+01  0.703626D+00  0.779688D+00  0.164709D+01
      2   0.413432D+00  0.703626D+00  0.197391D+01  0.433142D+00  0.639576D+00
      3   0.462189D+00  0.779688D+00  0.433142D+00  0.782276D+00  0.419698D+00
               131           132           133           134           135 
      1   0.639576D+00  0.419698D+00  0.128472D+01  0.974179D-01  0.175471D+00
      2   0.535430D+01  0.131141D+01  0.974179D-01  0.233293D+01  0.158425D+01
      3   0.131141D+01  0.164445D+01  0.175471D+00  0.158425D+01  0.694600D+00
               136           137           138           139           140 
      1  -0.114255D+01  0.371288D+00 -0.899815D+00  0.136210D+00 -0.136570D+00
      2   0.371288D+00  0.188120D+00  0.155792D+00 -0.136570D+00  0.127054D+01
      3  -0.899815D+00  0.155792D+00 -0.574418D+00  0.365717D+00 -0.125068D+01
               141           142           143           144           145 
      1   0.365717D+00 -0.176394D+01  0.902373D+00 -0.170840D+01 -0.789890D+01
      2  -0.125068D+01  0.902373D+00 -0.202526D+01  0.261706D+01 -0.125243D+01
      3   0.143291D+01 -0.170840D+01  0.261706D+01 -0.851446D+01  0.383798D+01
               146           147           148           149           150 
      1  -0.125243D+01  0.383798D+01 -0.943002D+00 -0.797374D+00  0.447485D+00
      2  -0.104873D+01  0.830241D+00 -0.797374D+00 -0.809951D+00  0.940789D+00
      3   0.830241D+00 -0.329461D+01  0.447485D+00  0.940789D+00 -0.155469D+00
               151           152           153           154           155 
      1   0.234430D+01  0.419044D+00 -0.214250D+01  0.123112D+01 -0.163162D+01
      2   0.419044D+00  0.601836D+00 -0.250111D+00 -0.163162D+01  0.229513D+01
      3  -0.214250D+01 -0.250111D+00  0.204495D+01  0.909441D+00 -0.814855D+00
               156           157           158           159           160 
      1   0.909441D+00 -0.189888D+01  0.194164D+01 -0.332419D+00  0.645668D+00
      2  -0.814855D+00  0.194164D+01 -0.570821D+01  0.236593D+01 -0.391143D+00
      3   0.140823D+01 -0.332419D+00  0.236593D+01 -0.220556D+01  0.696795D+00
               161           162           163           164           165 
      1  -0.391143D+00  0.696795D+00  0.102786D+01  0.756371D+00  0.113849D+01
      2   0.139756D+01 -0.115689D+01  0.756371D+00  0.136911D+01  0.552932D+00
      3  -0.115689D+01  0.110992D+01  0.113849D+01  0.552932D+00  0.157476D+01
               166           167           168           169           170 
      1   0.138245D+01  0.119456D+01  0.433812D+00  0.113022D+01  0.477975D+00
      2   0.119456D+01  0.274599D+01  0.196098D+01  0.477975D+00  0.165277D+01
      3   0.433812D+00  0.196098D+01  0.327498D+01  0.701725D+00  0.156018D+01
               171 
      1   0.701725D+00
      2   0.156018D+01
      3   0.329332D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.575211D+00 -0.786516D+01 -0.100429D+01 -0.692818D+01  0.230907D+01
      2  -0.240465D+01 -0.300620D+01  0.115983D+02 -0.221807D+01  0.115234D+02
      3  -0.203134D+01 -0.894886D+01  0.252701D+01 -0.474574D+01  0.516314D+01
                 6             7             8             9            10 
      1  -0.109167D+02 -0.107782D+01 -0.441261D+01 -0.347802D+00  0.199942D+01
      2   0.375362D+01  0.459581D+01  0.445442D+01 -0.463385D+01 -0.865647D+01
      3  -0.419831D+01  0.155593D+01 -0.237351D+01 -0.352164D+01  0.195834D+01
                11            12            13            14            15 
      1  -0.817352D-01 -0.446173D-01 -0.106556D+00  0.324021D+00 -0.323686D+01
      2  -0.244224D+01  0.372165D+01  0.189641D+01 -0.252472D+01 -0.339464D+01
      3   0.429398D+01  0.207846D+01  0.976054D+01 -0.167202D+01  0.382803D+01
                16            17            18            19            20 
      1  -0.146466D+01  0.198015D+01 -0.191558D+01 -0.235073D+01  0.158993D+01
      2  -0.101815D+01 -0.275163D+01  0.603882D+01  0.155332D+01  0.650560D+00
      3  -0.166337D+01  0.268989D+01  0.458184D+01 -0.737981D+00 -0.355518D+01
                21            22            23            24            25 
      1  -0.134464D+01  0.493101D+01 -0.868461D+00  0.141171D+01  0.320125D+01
      2  -0.159392D+01 -0.476130D+00 -0.258248D+01  0.269573D+01 -0.763540D+01
      3   0.958885D-01  0.327249D+01  0.125772D-01 -0.315635D+01  0.142143D+01
                26            27            28            29            30 
      1   0.407801D+01  0.308032D+01 -0.119489D+01 -0.485304D+01  0.645918D+00
      2  -0.195580D+01  0.308775D+01  0.126467D+02  0.469897D+01  0.278701D+01
      3  -0.338134D+00  0.379459D+00 -0.377530D+01 -0.840270D+01 -0.318073D+01
                31            32            33            34            35 
      1  -0.369867D+01  0.641814D+00  0.680311D+01  0.304923D+01  0.674753D+01
      2  -0.767793D+00  0.136873D+01 -0.300900D+00 -0.995138D+01 -0.226943D+01
      3  -0.600171D+01  0.922355D+01  0.239423D+01 -0.915382D+00  0.339380D+01
                36            37            38            39            40 
      1  -0.132163D+01 -0.103868D+01  0.387468D+01  0.619014D+00  0.286652D+01
      2  -0.956253D+01 -0.177037D+01 -0.155970D+01  0.519152D+01  0.275850D+00
      3  -0.729666D+00  0.257177D+01 -0.652712D+01  0.102555D+01 -0.180856D+01
                41            42            43            44            45 
      1   0.979693D+01  0.329009D+00 -0.126215D+01  0.499658D+01 -0.649554D+00
      2   0.371210D+01  0.324230D+01  0.257243D+01  0.969066D+00  0.920833D+01
      3  -0.156781D+02 -0.647113D+01 -0.164450D+01 -0.522360D+01  0.989780D+00
                46            47            48            49            50 
      1   0.328492D+01  0.287819D+01 -0.404650D+00  0.267254D+01  0.223550D+01
      2   0.108465D+02  0.110362D+01 -0.691884D+00  0.160491D+01  0.276167D+01
      3   0.888677D+01 -0.128107D+02 -0.481402D+01 -0.558132D+01 -0.660998D+01
                51            52            53            54            55 
      1   0.210583D+01 -0.270339D+01  0.763389D+01 -0.799184D+01  0.445223D+01
      2   0.485286D+01 -0.754104D+01  0.755283D+01 -0.146032D+02  0.321545D+01
      3  -0.571190D+01 -0.531827D+01 -0.509282D+01 -0.604386D+01 -0.386349D+01
                56            57            58            59            60 
      1  -0.409548D+01 -0.390285D+01 -0.384461D+01  0.429474D+01 -0.370760D+01
      2  -0.941760D+00  0.190235D+01 -0.946652D+00  0.495389D+01 -0.126173D+01
      3  -0.135716D+02 -0.519568D+01 -0.265077D+01 -0.918882D+01 -0.172274D+01
                61            62            63            64            65 
      1  -0.672204D+01  0.636096D+01  0.346310D+01  0.130834D+01  0.107891D+01
      2  -0.558045D+01  0.162897D+01  0.152732D+01 -0.373202D+01 -0.186246D+01
      3  -0.360930D+01 -0.527054D+00  0.497867D+01 -0.491184D+01  0.319481D-01
                66            67            68            69            70 
      1  -0.809443D+00 -0.115702D+01 -0.150408D+01 -0.128695D+02 -0.102072D+01
      2   0.135135D+01  0.358352D+01 -0.153508D+00  0.216467D+01 -0.119372D+01
      3   0.116001D+01  0.138139D+02 -0.156237D+02  0.154888D+01  0.127175D+01
                71            72            73            74            75 
      1   0.174279D+00  0.445451D+00 -0.561219D+00  0.616481D+00 -0.138976D+00
      2   0.496257D+01  0.135169D+01 -0.134898D+01  0.707711D+00  0.215268D+00
      3  -0.569368D+00 -0.438239D+01  0.243215D+00 -0.518230D+00  0.531976D+00
                76            77            78            79            80 
      1  -0.307941D+00 -0.215715D+01  0.126504D+00 -0.117582D+01  0.503034D+01
      2   0.158883D+01 -0.693962D+00 -0.246509D+00 -0.385588D+01  0.105444D+01
      3   0.192384D+01 -0.245082D-01  0.106111D+01 -0.449836D+00  0.122082D+00
                81            82            83            84            85 
      1  -0.132317D+01 -0.475422D+00  0.701469D+00 -0.135001D+01  0.519530D+00
      2   0.911063D-01  0.824468D+00  0.593899D+00  0.262536D+01 -0.195468D+01
      3  -0.648293D+00 -0.280599D+00 -0.471785D+01 -0.365217D+00  0.153538D+01
                86            87            88            89            90 
      1   0.120357D+01 -0.264240D+01 -0.282124D+00  0.173530D+01 -0.685853D+00
      2   0.115270D+01  0.362082D+01 -0.189283D+01  0.221978D+01  0.205952D+01
      3  -0.657310D+01 -0.300115D+01  0.190965D+01 -0.337250D+01 -0.242861D+01
                91            92            93            94            95 
      1  -0.426537D-01 -0.257029D+01  0.397050D+00 -0.249555D+01 -0.117888D+02
      2   0.213710D+01  0.154835D-01  0.153134D+00 -0.110753D+01 -0.206966D+01
      3   0.189429D+00  0.110739D+01  0.964543D+00  0.287756D+01  0.189161D+02
                96            97            98            99           100 
      1  -0.374631D+01 -0.558588D+00 -0.100919D+01  0.134266D+01  0.106420D+01
      2  -0.542196D+01 -0.757931D+00 -0.279085D+01  0.203513D+00 -0.192152D+01
      3   0.458854D+01  0.607589D+00  0.341652D+01  0.259825D+01  0.976113D+01
               101           102           103           104           105 
      1   0.213177D+01 -0.236175D+01  0.193379D+00  0.269484D+01 -0.337381D+01
      2  -0.897083D+00  0.795794D+00 -0.181491D+01 -0.191337D+01 -0.144766D+00
      3   0.725706D+01  0.625235D+00  0.892521D+01  0.113528D+02  0.283892D+01
               106           107           108           109           110 
      1   0.498329D+00  0.158511D+00  0.662919D+00 -0.383402D+01  0.158537D+01
      2   0.290084D+00  0.220944D-01  0.574317D+00  0.439179D+00  0.797704D+00
      3  -0.106748D+01  0.127883D-01 -0.920148D-01 -0.562228D+01  0.724208D+00
               111           112           113           114           115 
      1   0.734960D+01  0.567548D+00 -0.101689D+01 -0.219650D+01  0.511984D+01
      2   0.373941D+01 -0.666767D-01 -0.304560D+00 -0.107507D+01 -0.589310D+00
      3   0.341248D+01  0.154726D+01  0.307978D+00 -0.196485D+00  0.540000D+01
               116           117           118           119           120 
      1  -0.158033D+01 -0.638330D+01 -0.273161D+01  0.453285D-01  0.211315D+01
      2  -0.152868D+01 -0.320240D+01 -0.863681D+01  0.553545D+00  0.761828D+01
      3  -0.233079D+00 -0.423856D+01 -0.887837D+01 -0.441340D+01  0.224069D+01
               121           122           123           124           125 
      1   0.419095D+00 -0.599641D+00 -0.959401D+00  0.158688D+01  0.266789D+00
      2  -0.114686D+00 -0.166549D+01  0.302978D+00  0.426840D+01 -0.917889D+00
      3  -0.105177D+01 -0.487869D+00  0.132197D+01  0.244007D+01  0.242112D+01
               126           127           128           129           130 
      1  -0.837474D+00 -0.146686D+01 -0.116836D+01 -0.174650D+01 -0.121995D+01
      2  -0.253802D+01 -0.164030D+01 -0.614444D+00 -0.859595D+00 -0.792967D+00
      3  -0.523236D+00  0.660410D+01  0.597782D+01  0.254270D+01  0.762342D+01
               131           132           133           134           135 
      1  -0.381990D+01 -0.485233D+01 -0.429452D+00 -0.163146D+01 -0.210932D+01
      2  -0.270348D+01 -0.305042D+01 -0.147815D+01 -0.299245D+01 -0.128497D+01
      3   0.135475D+02  0.439682D+01  0.288422D+01  0.552071D+01  0.386252D+01
               136           137           138           139           140 
      1   0.629179D+00 -0.433459D+00  0.606579D+00 -0.513397D+00  0.145561D+00
      2   0.123513D+01 -0.553773D+00  0.180379D+01 -0.372808D+00  0.249944D+01
      3  -0.572236D-01  0.159774D+00 -0.814009D-01  0.138682D+01  0.282051D+01
               141           142           143           144           145 
      1  -0.214351D+01  0.753145D+00  0.143402D+01  0.882771D+01  0.113134D+01
      2  -0.322241D+01 -0.802457D+00 -0.456458D+01  0.180397D+02  0.830188D+01
      3  -0.224846D+01 -0.461876D+00 -0.416134D+01  0.467214D+01  0.496852D+01
               146           147           148           149           150 
      1  -0.217615D+01 -0.168943D+01 -0.376654D+00 -0.267721D+00  0.176473D+00
      2   0.453377D+00  0.186204D+01  0.102489D+01 -0.678066D+00 -0.312170D+00
      3  -0.312050D+01 -0.146744D+01  0.666407D+00 -0.730189D+00  0.935901D+00
               151           152           153           154           155 
      1  -0.103105D+01  0.206362D+01  0.120666D+01 -0.231528D+01  0.464996D+01
      2  -0.282484D+01 -0.627080D+00 -0.226493D+00 -0.503948D+01  0.424278D+01
      3  -0.140471D+01  0.133813D+01  0.149068D+01 -0.463608D+01  0.383323D+01
               156           157           158           159           160 
      1   0.132469D+01  0.423093D+01 -0.843590D+01 -0.110414D+01  0.238420D+00
      2  -0.181313D+01  0.516490D+01 -0.735115D+01  0.265932D+01 -0.315112D+01
      3  -0.144558D+01  0.704384D+01 -0.874694D+01  0.278215D+01 -0.133702D+01
               161           162           163           164           165 
      1   0.243324D+01 -0.616523D+00  0.271695D+01  0.409156D+01  0.174116D+01
      2   0.227262D+01 -0.206471D+01 -0.497316D+01 -0.253237D+01 -0.308572D+01
      3   0.178434D+01 -0.241289D+01  0.994133D+00  0.737180D+00 -0.626114D-01
               166           167           168           169           170 
      1   0.317207D+01  0.740483D+01  0.347541D+01  0.189781D+01  0.600393D+01
      2  -0.450642D+01 -0.533147D+01 -0.486174D+01 -0.478992D+01 -0.335408D+01
      3   0.279905D+01  0.260667D+01  0.208614D+01  0.381104D+00  0.119201D+01
               171 
      1   0.456135D+01
      2  -0.514208D+01
      3   0.146781D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.145080D+02 -0.865229D+01  0.192070D+02 -0.781399D+01  0.198952D+02
      2   0.141036D+02  0.128850D+02 -0.966953D+01  0.115775D+02 -0.944690D+01
      3   0.404480D+00 -0.423276D+01 -0.953749D+01 -0.376348D+01 -0.104483D+02
      4  -0.119168D+02  0.573306D+01  0.762942D+01  0.711767D+01  0.125589D+01
      5   0.268729D+02  0.543632D+01 -0.124657D+02  0.333886D+01 -0.114942D+01
      6   0.918330D+01 -0.982785D+01 -0.367704D+01 -0.892346D+01  0.623120D+01
                 6             7             8             9            10 
      1   0.459683D+01  0.131739D+02  0.426105D+01 -0.786973D+01  0.112513D+02
      2   0.921828D+01 -0.643550D+01  0.699764D+01 -0.175622D+01 -0.135781D+02
      3  -0.138151D+02 -0.673844D+01 -0.112587D+02  0.962595D+01  0.232681D+01
      4   0.614499D+01  0.620267D+01  0.405395D+01  0.600810D+01 -0.480215D+01
      5   0.137556D+01 -0.983624D+01  0.401306D+01 -0.599582D+01 -0.132296D+02
      6  -0.756695D+01 -0.199901D+01 -0.564645D+01 -0.841692D+01 -0.605446D+01
                11            12            13            14            15 
      1  -0.136228D+00 -0.106391D+02  0.487116D+01 -0.116990D+02 -0.212751D+01
      2  -0.473668D+00  0.413769D+01 -0.364824D+01 -0.898088D+00 -0.453800D+01
      3   0.609896D+00  0.650142D+01 -0.122292D+01  0.125970D+02  0.666550D+01
      4  -0.168808D+02 -0.564507D+01 -0.166942D+02 -0.875919D+01 -0.124735D+02
      5  -0.330220D+01 -0.105044D+01 -0.399023D+00 -0.142122D+02 -0.765999D+01
      6  -0.550850D+01 -0.356505D+00 -0.615269D+01 -0.511510D+01 -0.314560D+01
                16            17            18            19            20 
      1  -0.113375D+02 -0.128672D+01  0.334719D+01 -0.833956D+01 -0.825026D+01
      2   0.415827D+01 -0.216353D+01 -0.232683D+01  0.867640D+01  0.106481D+02
      3   0.717925D+01  0.345024D+01 -0.102036D+01 -0.336845D+00 -0.239784D+01
      4  -0.263557D+01 -0.947879D+01 -0.123262D+02  0.677812D+01  0.182396D+00
      5  -0.269816D+01 -0.114841D+02  0.994208D+01  0.179852D+01 -0.129956D+01
      6  -0.250362D+01 -0.601920D+01  0.183484D+00  0.485519D+01  0.627616D+01
                21            22            23            24            25 
      1  -0.369887D+00 -0.442014D+01  0.348338D+01 -0.379324D+01  0.498734D+01
      2   0.382845D+00  0.527526D+01  0.463874D+00 -0.479011D+01  0.127418D+01
      3  -0.129583D-01 -0.855120D+00 -0.394726D+01  0.858335D+01 -0.626152D+01
      4   0.824649D+00 -0.455928D+01  0.129872D+02  0.103436D+01 -0.116588D+01
      5  -0.213681D+01 -0.151266D+01  0.311769D+01  0.583200D+01  0.313318D+01
      6   0.456797D+01  0.110659D+01  0.742671D+00 -0.883685D+01 -0.452387D+00
                26            27            28            29            30 
      1  -0.813410D+01  0.779388D+01 -0.539874D+01  0.405816D+01 -0.788113D+00
      2   0.604867D-01  0.147950D+02  0.191571D+01 -0.482662D+01  0.733463D+01
      3   0.807362D+01 -0.225889D+02  0.348303D+01  0.768456D+00 -0.654651D+01
      4   0.525782D+01 -0.307199D+01  0.393391D+01  0.360983D+01  0.224492D+01
      5  -0.987403D+00 -0.182506D+01 -0.758723D+01  0.459498D+01 -0.196058D+01
      6   0.451325D+01  0.704677D+01 -0.160276D+01 -0.348037D+01  0.185199D+01
                31            32            33            34            35 
      1   0.847849D+01  0.188159D+02  0.262676D+01 -0.121947D+02  0.781587D+01
      2  -0.918417D+01 -0.355738D+02 -0.213815D+01  0.970113D+01 -0.390872D+01
      3   0.705684D+00  0.167579D+02 -0.488608D+00  0.249362D+01 -0.390715D+01
      4  -0.159599D+02 -0.207230D+02  0.332876D+01  0.395941D+01 -0.290171D+00
      5   0.738435D+01  0.590852D+01 -0.527727D+00  0.146157D+00  0.220910D+01
      6   0.510020D+00  0.219557D+01 -0.112021D+02 -0.111250D+01  0.375496D+00
                36            37            38            39            40 
      1  -0.137975D+01  0.364446D+02 -0.243603D+01  0.773177D+01  0.248041D+01
      2  -0.222955D+01 -0.243096D+02  0.254559D+01 -0.101356D+02 -0.160161D+01
      3   0.360929D+01 -0.121350D+02 -0.109564D+00  0.240387D+01 -0.878799D+00
      4   0.167938D+01 -0.226473D+01  0.732345D+01 -0.391947D-01  0.133758D+02
      5  -0.873255D+01  0.147326D+02 -0.158032D+01  0.144831D+02  0.230091D+01
      6  -0.166314D+01  0.646896D+00  0.132258D+01 -0.241004D+01  0.448631D+00
                41            42            43            44            45 
      1   0.697115D+01  0.435060D+01  0.116112D+02 -0.150434D+01  0.349679D+01
      2  -0.299878D+01 -0.381269D+01 -0.117579D+02  0.205493D+01 -0.156834D+02
      3  -0.397236D+01 -0.537912D+00  0.146682D+00 -0.550587D+00  0.121866D+02
      4   0.122796D+02  0.620755D+01 -0.276131D+01  0.329972D+01 -0.938855D+00
      5   0.637978D+01  0.316158D+01  0.162435D+02 -0.204855D+01  0.183040D+02
      6  -0.261091D+01  0.502931D+01  0.432762D+00  0.464100D+01  0.141273D+00
                46            47            48            49            50 
      1  -0.409320D+02  0.585588D+01  0.182401D+02 -0.280728D+01  0.169269D+02
      2   0.221783D+02 -0.107747D+02 -0.103795D+02 -0.552397D+01 -0.948051D+01
      3   0.187537D+02  0.491883D+01 -0.786060D+01  0.833126D+01 -0.744635D+01
      4   0.550369D+01  0.133751D+02 -0.232849D+01  0.138223D+02 -0.363406D+01
      5   0.139297D+02  0.224372D+00 -0.170333D+00  0.730425D+00  0.105012D+02
      6  -0.535791D+01  0.160445D+00  0.350353D+00  0.131866D+01 -0.509960D+01
                51            52            53            54            55 
      1   0.324726D+01  0.227098D+02  0.158655D+01  0.383925D+01  0.113722D+02
      2  -0.939550D+01 -0.105108D+02 -0.894069D+01  0.705734D+01 -0.586736D+01
      3   0.614824D+01 -0.121989D+02  0.735414D+01 -0.108966D+02 -0.550483D+01
      4   0.662358D+01 -0.222452D+01  0.484474D+01  0.105257D+02 -0.358926D+01
      5   0.957252D+01 -0.416308D+01  0.116388D+02 -0.280208D+02  0.585368D+01
      6  -0.416904D+01  0.172861D+01 -0.372936D+01  0.128004D+02 -0.890790D+01
                56            57            58            59            60 
      1   0.134534D+02  0.244172D+01  0.956017D+01  0.533793D+01  0.325658D+01
      2  -0.230998D+02 -0.667552D+01 -0.175984D+02 -0.313952D+00 -0.471609D+01
      3   0.964636D+01  0.423380D+01  0.803822D+01 -0.502398D+01  0.145950D+01
      4   0.248055D+01 -0.499883D+01  0.616215D+01 -0.195517D+02  0.284410D+01
      5  -0.358115D+01 -0.134880D+01 -0.271047D+01 -0.187728D+01 -0.371723D+00
      6  -0.300943D+01  0.666038D+01 -0.111120D+01 -0.870919D+01  0.353225D+01
                61            62            63            64            65 
      1  -0.112083D+01  0.318312D+01 -0.456371D+01  0.313559D+01  0.640962D+01
      2  -0.385248D+01 -0.504389D+01 -0.997452D+00  0.470498D+01 -0.218257D+01
      3   0.497331D+01  0.186077D+01  0.556116D+01 -0.784057D+01 -0.422705D+01
      4  -0.638688D+01  0.506552D+01  0.112131D+02  0.630260D+01  0.153599D+02
      5  -0.736364D+01  0.592680D+01  0.100052D+02 -0.122511D+01 -0.253146D+01
      6   0.129129D+02 -0.376140D+01 -0.635049D+01 -0.982034D+00 -0.153736D+01
                66            67            68            69            70 
      1   0.622663D+00  0.198418D+01 -0.359544D+02  0.115144D+01  0.562334D+00
      2  -0.144179D+01  0.354738D+01  0.667446D+02 -0.113134D+01 -0.207144D+01
      3   0.819130D+00 -0.553155D+01 -0.307902D+02 -0.201059D-01  0.150911D+01
      4  -0.201417D+01  0.226434D+02  0.342970D+02 -0.343937D+01 -0.199060D+01
      5   0.404465D+01 -0.220470D+01 -0.704925D+01  0.687778D+01  0.428691D+01
      6   0.787387D+00 -0.192053D+01 -0.291781D+01  0.186228D+02  0.204252D+01
                71            72            73            74            75 
      1  -0.569720D+00 -0.722860D+01  0.645321D+00  0.450200D+00 -0.652900D+00
      2  -0.100126D+01  0.640250D+01 -0.502832D+01 -0.537450D-02 -0.832311D+00
      3   0.157098D+01  0.826104D+00  0.438300D+01 -0.444825D+00  0.148521D+01
      4  -0.217729D+01  0.660133D+01 -0.144755D+00  0.152429D+01 -0.101771D+01
      5   0.738025D+01 -0.228709D+01  0.874382D+00 -0.187250D+01  0.681074D+01
      6   0.152834D+02 -0.199669D+01 -0.233308D+01 -0.769152D-01 -0.125134D+00
                76            77            78            79            80 
      1   0.380696D+00 -0.429869D+01  0.490871D+01 -0.459828D+00  0.379785D+01
      2   0.748565D+00 -0.137800D+01  0.415749D+01 -0.220012D+01  0.571792D+01
      3  -0.112926D+01  0.567669D+01 -0.906620D+01  0.265995D+01 -0.951577D+01
      4   0.226080D+01  0.441734D+00  0.185457D-01 -0.780038D-01 -0.243140D+01
      5  -0.112051D+01  0.300254D+00 -0.418632D+00  0.495053D+01  0.170925D+00
      6   0.106832D+01 -0.462591D+01  0.888999D+01 -0.126684D+01  0.619755D+01
                81            82            83            84            85 
      1  -0.187817D+02  0.105042D+02  0.549453D+01  0.538603D+01  0.427090D+01
      2  -0.197322D+02 -0.260955D+01 -0.672081D+00 -0.199780D+01  0.188165D+01
      3   0.385139D+02 -0.789467D+01 -0.482245D+01 -0.338823D+01 -0.615255D+01
      4   0.101197D+01  0.128990D+02  0.149234D+02  0.629623D+01  0.155407D+02
      5  -0.256560D-01  0.876770D+01  0.547904D+01  0.812784D+01  0.555318D+01
      6  -0.696288D+01  0.452134D+01  0.399007D+01  0.370106D+01  0.483318D+01
                86            87            88            89            90 
      1  -0.681031D+00  0.362112D+00  0.426680D+01 -0.122330D+01 -0.714251D+00
      2   0.114369D+02  0.384904D+01 -0.231970D+01  0.210791D+01 -0.136694D+01
      3  -0.107559D+02 -0.421115D+01 -0.194710D+01 -0.884605D+00  0.208119D+01
      4   0.219428D+02  0.948300D+01  0.577321D+01  0.941279D+01  0.933712D+01
      5   0.885236D+01  0.799412D+01  0.876937D+01  0.856450D+01  0.854845D+01
      6   0.107996D+02  0.877708D+01  0.438414D+01  0.988380D+01  0.815094D+01
                91            92            93            94            95 
      1   0.360743D+01 -0.368137D+01  0.465968D+00 -0.114806D+02 -0.358073D+01
      2  -0.549814D+00  0.946182D+00  0.178757D+01  0.718054D+01  0.322877D+01
      3  -0.305761D+01  0.273519D+01 -0.225354D+01  0.430009D+01  0.351956D+00
      4  -0.600732D+01  0.176431D+01 -0.238417D+01  0.122041D+01 -0.173158D+02
      5  -0.145703D+00 -0.234484D+01  0.616617D-02 -0.774421D+01 -0.115472D+01
      6  -0.102917D+01  0.207560D+01 -0.146768D+01  0.351137D+01 -0.154369D+01
                96            97            98            99           100 
      1  -0.545539D+01 -0.255877D+01 -0.894171D+00 -0.149552D+01 -0.554519D+01
      2   0.633270D+01  0.208724D+01  0.184252D+00  0.154216D+01  0.964526D+01
      3  -0.877314D+00  0.471538D+00  0.709919D+00 -0.466463D-01 -0.410007D+01
      4   0.511345D-01 -0.364547D+01  0.434256D+00 -0.360908D+01  0.820270D+01
      5  -0.860670D+01  0.100568D+01 -0.340604D+01  0.132627D+01  0.346696D+01
      6   0.305299D+01 -0.310719D+00  0.324875D+01 -0.357513D+01  0.266077D+01
               101           102           103           104           105 
      1  -0.139090D+02 -0.282471D+01 -0.888599D+01 -0.237790D+02 -0.557069D+01
      2   0.210348D+02  0.218254D+01  0.123716D+02  0.356093D+02  0.513147D+01
      3  -0.712576D+01  0.642173D+00 -0.348562D+01 -0.118302D+02  0.439215D+00
      4   0.827282D+01  0.291931D+00  0.801478D+01  0.593477D+01  0.153243D+00
      5   0.250463D+01  0.712588D+00  0.292327D+01  0.195641D+01 -0.694888D+00
      6   0.893311D+01  0.417513D+01  0.446261D+01  0.147455D+02  0.844562D+01
               106           107           108           109           110 
      1   0.132670D+01 -0.130955D+01 -0.135355D+01  0.417276D+01  0.167496D+01
      2  -0.678377D+00  0.956093D+00  0.108337D+01 -0.471374D+01 -0.194155D+01
      3  -0.648327D+00  0.353462D+00  0.270179D+00  0.540984D+00  0.266588D+00
      4  -0.248846D+00 -0.415267D+00  0.191968D+00 -0.131997D+02  0.914690D+01
      5   0.250832D+01  0.190797D+00  0.534762D+00 -0.145033D+02  0.772845D+01
      6  -0.350592D+00  0.494527D+01  0.163068D+01  0.117822D+02 -0.960848D+01
               111           112           113           114           115 
      1   0.350070D+00  0.132540D+01 -0.436738D+01 -0.318495D+01  0.792166D+00
      2   0.423304D+01 -0.224709D+01  0.499725D+01  0.310366D+01  0.458623D+01
      3  -0.458311D+01  0.921697D+00 -0.629871D+00  0.812893D-01 -0.537839D+01
      4   0.988702D+01  0.622824D+01 -0.569463D+01 -0.468145D+01  0.113013D+02
      5   0.144569D+02  0.293193D+01 -0.479926D+01 -0.354418D+01  0.153655D+02
      6  -0.147859D+02 -0.537217D+01  0.791197D+01  0.890198D+01 -0.136860D+02
               116           117           118           119           120 
      1  -0.533249D+01 -0.462554D+01  0.702606D+02 -0.685037D+01 -0.109189D+02
      2   0.256121D+01 -0.440106D+01 -0.348866D+02  0.154287D+01  0.552079D+01
      3   0.277128D+01  0.902660D+01 -0.353739D+02  0.530750D+01  0.539816D+01
      4  -0.732715D+01 -0.118196D+02 -0.182878D+02  0.107943D+02  0.225048D+01
      5  -0.816968D+01 -0.156602D+02 -0.611960D+01  0.479998D-01  0.106994D+02
      6   0.134717D+02  0.178377D+02  0.313239D+01  0.887480D-01 -0.341263D+01
               121           122           123           124           125 
      1   0.411075D+01  0.445838D+01 -0.860679D+00 -0.182810D+02  0.209999D+01
      2  -0.377123D+01 -0.474266D+00  0.155936D+01  0.963252D+01  0.462338D+00
      3  -0.339516D+00 -0.398411D+01 -0.698678D+00  0.864843D+01 -0.256233D+01
      4   0.813532D+01 -0.138168D+01 -0.282955D+01  0.568630D+01 -0.442173D+01
      5  -0.706979D-01 -0.243368D+01  0.457925D+00  0.109095D+02 -0.197733D+01
      6  -0.469456D+00  0.825409D+00  0.135009D+01 -0.264527D+01  0.168212D+01
               126           127           128           129           130 
      1   0.786430D+01 -0.104383D+01 -0.571343D+01 -0.403646D+01 -0.795552D+01
      2  -0.596398D+01  0.269791D+01  0.696293D+01  0.291965D+01  0.669467D+01
      3  -0.190032D+01 -0.165408D+01 -0.124950D+01  0.111681D+01  0.126086D+01
      4  -0.281078D+01  0.144254D+01 -0.341460D+01  0.588633D+00  0.319538D+01
      5  -0.392367D+01 -0.289102D+01 -0.108738D+01 -0.218502D+01 -0.223638D+01
      6   0.578981D+00  0.176425D+01  0.899197D+00  0.233699D+01  0.840403D+00
               131           132           133           134           135 
      1  -0.153843D+02 -0.493047D+01 -0.619601D+01 -0.451863D+01 -0.542269D+01
      2   0.252383D+02  0.773822D+01  0.318435D+01  0.785799D+01  0.346552D+01
      3  -0.985400D+01 -0.280775D+01  0.301167D+01 -0.333936D+01  0.195717D+01
      4  -0.151379D+02 -0.339911D+01  0.242752D+01 -0.675811D+01 -0.394436D+01
      5  -0.539345D+01 -0.675925D+01  0.358829D+00 -0.554236D+01 -0.144897D+01
      6   0.448824D+01  0.637484D+01  0.591278D+00  0.632044D+01  0.315659D+01
               136           137           138           139           140 
      1   0.594518D+01 -0.210129D+01  0.326386D+01 -0.144073D+00 -0.474165D+01
      2  -0.503871D+01  0.151295D+01 -0.230575D+01  0.367112D+00  0.313582D+01
      3  -0.906470D+00  0.588342D+00 -0.958113D+00 -0.223039D+00  0.160582D+01
      4  -0.307160D+01  0.154124D+01 -0.276392D+01  0.265725D+01 -0.503296D+01
      5   0.477826D+01 -0.222620D+01  0.817927D+01 -0.221683D+01  0.533369D+01
      6  -0.174395D+01  0.848218D+00 -0.164944D+01  0.178034D+01 -0.516472D+01
               141           142           143           144           145 
      1   0.240888D+01  0.566590D+01  0.223216D+01 -0.929467D+01  0.341773D+02
      2  -0.123904D+01 -0.552620D+01  0.372826D-01 -0.138924D+02 -0.236421D+02
      3  -0.116984D+01 -0.139704D+00 -0.226944D+01  0.231870D+02 -0.105352D+02
      4   0.576521D+01 -0.662446D+01  0.896202D+01 -0.971114D+01  0.160250D+02
      5  -0.685061D+01  0.136231D+02 -0.115342D+02  0.378882D+02 -0.350252D+02
      6   0.100414D+02 -0.375908D+01  0.106418D+02 -0.195579D+02 -0.747724D+01
               146           147           148           149           150 
      1   0.338763D+01 -0.103553D+02  0.260605D+01  0.101695D+01 -0.465327D+00
      2  -0.167613D+01  0.135489D+02 -0.991216D+00 -0.707223D-01 -0.580213D+00
      3  -0.171151D+01 -0.319360D+01 -0.161483D+01 -0.946231D+00  0.104554D+01
      4   0.928730D+01 -0.820359D+01  0.815314D+01  0.422206D+01 -0.456095D+01
      5  -0.615274D+01  0.237923D+02 -0.376948D+01 -0.454208D+01  0.212079D+01
      6  -0.529820D+01  0.644846D+01 -0.363268D+01 -0.323526D+01  0.498915D+01
               151           152           153           154           155 
      1  -0.572717D+01 -0.609967D+00  0.398208D+01 -0.399920D+01  0.849370D+01
      2   0.905033D+01  0.409541D+00 -0.985691D+01  0.342502D+01 -0.823794D+01
      3  -0.332315D+01  0.200426D+00  0.587483D+01  0.574179D+00 -0.255757D+00
      4  -0.500223D+01 -0.312744D+01  0.417712D+01 -0.813016D+00  0.860230D+00
      5   0.176160D+02  0.280156D+01 -0.145925D+02  0.106451D+01 -0.289542D+01
      6   0.452573D+01  0.406419D+01 -0.389863D+01 -0.500886D+01  0.875499D+01
               156           157           158           159           160 
      1  -0.696894D+01  0.797995D+01 -0.209623D+02  0.878816D+01 -0.378932D+01
      2   0.180402D+01 -0.797784D+01  0.229992D+02 -0.419159D+01  0.107344D+01
      3   0.516492D+01 -0.211048D-02 -0.203695D+01 -0.459657D+01  0.271588D+01
      4  -0.316541D+00  0.232723D+01  0.685509D+01 -0.417740D+01 -0.871217D+00
      5   0.177978D+01 -0.467634D+01  0.381158D+00  0.241643D+01  0.321770D+01
      6  -0.512664D+01  0.595092D+01 -0.202777D+02  0.132085D+02 -0.369740D+01
               161           162           163           164           165 
      1   0.614725D+01 -0.718695D+01 -0.152076D+01 -0.123708D+01 -0.728379D+01
      2  -0.276769D+01  0.189216D+01 -0.223785D+01 -0.234340D+01 -0.184936D+01
      3  -0.337955D+01  0.529480D+01  0.375861D+01  0.358048D+01  0.913315D+01
      4  -0.140251D+01  0.158020D+00  0.242502D+00 -0.954621D+00 -0.148656D+01
      5  -0.386813D+00  0.537490D+00  0.740984D+00  0.167300D+01  0.286704D+01
      6   0.105967D+02 -0.677355D+01  0.195105D+01  0.499800D+01  0.213131D+01
               166           167           168           169           170 
      1  -0.269586D+01 -0.807661D+01 -0.851911D+01 -0.486657D+01 -0.495087D+01
      2  -0.789756D+00  0.196034D-01 -0.613747D+01 -0.830666D+00 -0.479181D+01
      3   0.348562D+01  0.805700D+01  0.146566D+02  0.569724D+01  0.974268D+01
      4  -0.969446D+00 -0.575223D+01 -0.393981D+01 -0.171546D+01 -0.350095D+01
      5   0.349836D+01 -0.119708D+00 -0.437500D+01  0.459879D+01 -0.126114D+00
      6   0.390445D+01  0.101748D+02  0.834670D+01  0.239857D+01  0.821994D+01
               171 
      1  -0.101683D+02
      2  -0.779260D+01
      3   0.179609D+02
      4  -0.267177D+01
      5  -0.242083D+01
      6   0.648342D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.204740D+01      0.520398D+01      0.173586D+02
   x         -0.742876D+00     -0.188820D+01     -0.629836D+01
   y         -0.176742D+01     -0.449234D+01     -0.149848D+02
   z         -0.718479D+00     -0.182619D+01     -0.609152D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.739690D+02      0.109611D+02      0.121958D+02
   aniso      0.105659D+02      0.156571D+01      0.174208D+01
   xx         0.760945D+02      0.112760D+02      0.125463D+02
   yx        -0.269603D+01     -0.399510D+00     -0.444515D+00
   yy         0.776510D+02      0.115067D+02      0.128029D+02
   zx         0.143289D+01      0.212332D+00      0.236252D+00
   zy        -0.141107D+01     -0.209099D+00     -0.232654D+00
   zz         0.681616D+02      0.101005D+02      0.112383D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.807477D+02      0.119656D+02      0.133135D+02
   aniso      0.113484D+02      0.168166D+01      0.187109D+01
   xx         0.826719D+02      0.122507D+02      0.136307D+02
   yx        -0.276693D+01     -0.410017D+00     -0.456205D+00
   yy         0.849290D+02      0.125852D+02      0.140029D+02
   zx         0.215331D+01      0.319088D+00      0.355033D+00
   zy        -0.118497D+01     -0.175595D+00     -0.195376D+00
   zz         0.746422D+02      0.110608D+02      0.123068D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -2.73937377          2.23904352          1.08554495
     6         -1.88117418         -0.48059512          1.56439485
     6          0.94787025         -0.89168078          0.95010925
     6          1.52651926         -0.12322908         -1.78993980
     8          2.72797093          2.09429922         -2.00600709
     6         -3.56855114         -2.36908427          0.18026249
     7          2.54514824          0.60022698          2.66665461
     8          0.91617865         -1.36785827         -3.58759808
     1          1.33338913         -2.91683820          1.07931053
     1         -2.04641477         -0.86202224          3.59590872
     1          3.05019176          2.64619004         -0.25996411
     1          1.69156950          0.88348038          4.35454103
     1          4.22221412         -0.26015093          2.99461459
     1         -5.53150114         -2.11445910          0.75958720
     1         -3.45026046         -2.11393361         -1.85900059
     1         -3.02295168         -4.31304637          0.60144336
     1         -4.67885243          2.49392422          1.73581253
     1         -1.55771060          3.61399592          2.06654837
     1         -2.69062861          2.68301590         -0.92875161

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.204740D+01      0.520398D+01      0.173586D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.204740D+01      0.520398D+01      0.173586D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.739690D+02      0.109611D+02      0.121958D+02
   aniso      0.105659D+02      0.156571D+01      0.174208D+01
   xx         0.750862D+02      0.111266D+02      0.123800D+02
   yx         0.493121D+01      0.730731D+00      0.813047D+00
   yy         0.727223D+02      0.107763D+02      0.119903D+02
   zx         0.353219D+00      0.523417D-01      0.582379D-01
   zy         0.337069D+01      0.499485D+00      0.555752D+00
   zz         0.740985D+02      0.109803D+02      0.122172D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.807477D+02      0.119656D+02      0.133135D+02
   aniso      0.113484D+02      0.168166D+01      0.187109D+01
   xx         0.812844D+02      0.120451D+02      0.134020D+02
   yx         0.555912D+01      0.823777D+00      0.916575D+00
   yy         0.794965D+02      0.117802D+02      0.131072D+02
   zx         0.486287D+00      0.720603D-01      0.801778D-01
   zy         0.325672D+01      0.482596D+00      0.536961D+00
   zz         0.814622D+02      0.120714D+02      0.134313D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U24-26\Freq\RB3LYP\Gen\C5H11N1O2\PIERPA\12-Aug-2021\0\\#P
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 GETTING A SIMPLE ANSWER FROM A PROFESSOR IS LIKE
 GETTING A THIMBLE OF WATER FROM A FIRE HYDRANT.
     -- PROF. LEN SHAPIRO, NDSU
 Job cpu time:       0 days  1 hours 36 minutes 44.3 seconds.
 Elapsed time:       0 days  0 hours 12 minutes  7.9 seconds.
 File lengths (MBytes):  RWF=    240 Int=      0 D2E=      0 Chk=      8 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 19:53:58 2021.
